Table 2 Plausible target profiling of drug scaffold 1 resulting from 2D-similarity search, SEA.

From: Pharmacological use of a novel scaffold, anomeric N,N-diarylamino tetrahydropyran: molecular similarity search, chemocentric target profiling, and experimental evidence

No.

#Lig

Reference Name

E-value

MaxT

CTD Gene Symbol

Diseases

Molecules

1

18

Quinone reductase 1 (human)

0.232

0.30

NQO1

Cytoprotection; cancer; Alzheimer’s disease; tardive dyskinesia

2

139

Epoxide hydratase (mouse)

0.939

0.35

EPHX

Acute inflammation; MI(Cardiac); Cancer; depression

3

24

Calpain 2 (pig)

1.25

0.31

CAPN2

Alzheimer’s disease

4

30

Calpain 2

3.98

0.31

CAPN2

Alzheimer’s disease

5

30

Quinone reductase 1

4.18

0.30

NQO1

Cytoprotection; cancer; Alzheimer’s disease; tardive dyskinesia

6

118

Epoxide hydratase

8.31

0.35

EPHX

Acute inflammation; MI(Cardiac); Cancer; depression