SCHEMBL3359651

SCHEMBL3359651

O=c1[nH]c2ncc(Cl)cc2cc1O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 13/20 0.56
DDO Q99489 4/20 0.56
IDH1 O75874 1/20 0.43
ROCK1 Q13464 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41

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
SCHEMBL3360121 0.79 DAO (0.54) DAODDO
SCHEMBL19127152 0.79 DAO (0.44) DAODDOIDH1ROCK1HRH4
SCHEMBL17913146 0.79 DYRK1A (0.44) DAODDOIDH1ROCK1HRH4
SCHEMBL17601628 0.78 IDH1 (0.47) DAODDOIDH1ROCK1HRH4
SCHEMBL17621792 0.77 IDH1 (0.48) IDH1ROCK1HRH4GRIN2DGRIN3B
SCHEMBL19145075 0.76 IDH1 (0.42) DAODDOIDH1ROCK1HRH4
SCHEMBL21549760 0.76 IDH1 (0.54) IDH1HRH4
SCHEMBL21549765 0.76 IDH1 (0.47) DAODDOIDH1ROCK1HRH4
SCHEMBL3360471 0.74 DAO (0.56) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL20556189 0.73 IDH1 (0.45) DAODDOIDH1ROCK1HRH4

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