SCHEMBL3244974

SCHEMBL3244974

O=C(NCc1ccc2c(c1)OCO2)N(CCO)c1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.65
ROCK1 Q13464 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.45
FAAH O00519 1/20 0.45
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 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
SCHEMBL3247331 0.79 ROCK2 (0.51) ROCK2ROCK1FAAHMAPT
SCHEMBL3249420 0.79 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL3248774 0.75 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL3238765 0.75 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL3249964 0.75 ROCK2 (0.71) ROCK2ROCK1
SCHEMBL1648107 0.74 ROCK2 (0.70) ROCK2ROCK1HSD17B10KDM4EALDH1A1
SCHEMBL3244866 0.73 ROCK2 (0.90) ROCK2ROCK1
SCHEMBL3264992 0.71 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL3236255 0.70 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL15580002 0.69 SMN1; SMN2 (0.63) SMN1; SMN2HSD17B10MAPTHPGDMAPK1

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-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed