SCHEMBL3396789

SCHEMBL3396789

N#Cc1ccc2cc(O)c(=O)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 10/20 0.63
DDO Q99489 3/20 0.63
FASN P49327 1/20 0.46
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
PIN1 Q13526 1/20 0.44
IDH1 O75874 1/20 0.44
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9392647 0.81 FASN (0.47) DAODDOFASNNOS3NOS1
SCHEMBL9393317 0.78 FASN (0.57) DAODDOFASN
SCHEMBL3359541 0.77 DAO (1.00) DAODDO
SCHEMBL1080585 0.77 NOS3 (0.51) NOS3NOS1NOS2PIN1IDH1
SCHEMBL11061371 0.76 CDK5 (0.41) DAODDOFASNNOS3NOS1
SCHEMBL3716513 0.76 IDH1 (0.50) FASNPIN1IDH1
SCHEMBL30905530 0.74 NOS3 (0.53) FASNNOS3NOS1NOS2PIN1
SCHEMBL118018 0.74 NOS3 (0.53) FASNNOS3NOS1NOS2PIN1
SCHEMBL16767847 0.74 DAO (1.00) DAODDO
SCHEMBL15690449 0.74 DAO (0.64) DAODDO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010058314-A1 HYDROXYQUINOLIN-2(1H)-ONES AND DERIVATIVES THEREOF PFIZER INC. (US) 2010-05-27 WO disclosed