SCHEMBL3242844

SCHEMBL3242844

COc1ccc(CSc2cc(-c3cn[nH]c3)ccc2NC(=O)COc2cccc(OC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ROCK2 O75116 12/20 0.47
HAVCR2 Q8TDQ0 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
RECQL P46063 1/20 0.46
MAPK10 P53779 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ROCK1 Q13464 4/20 0.45
CYP2C9 P11712 1/20 0.45
CDC42BPA Q5VT25 1/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL3242721 0.94 MAPT (0.48) ALDH1A1KDM4EKMT2AL3MBTL1ROCK2
SCHEMBL3131955 0.84 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL3242410 0.84 ROCK2 (0.49) ROCK2NPC1RAB9AROCK1CYP2C9
SCHEMBL3249259 0.80 ROCK2 (0.58) ALDH1A1KDM4EKMT2ANPSR1L3MBTL1
SCHEMBL3124817 0.79 ROCK2 (0.64) KMT2AROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3247042 0.79 ROCK2 (0.56) ALDH1A1KDM4EKMT2ANPSR1L3MBTL1
SCHEMBL3247286 0.79 ROCK2 (0.59) ALDH1A1KDM4EKMT2ANPSR1L3MBTL1
SCHEMBL3241492 0.78 ROCK2 (0.55) ALDH1A1KDM4EKMT2ANPSR1L3MBTL1
SCHEMBL3245748 0.77 ROCK2 (0.70) ROCK2ROCK1CDC42BPA
SCHEMBL1986880 0.76 ROCK2 (0.75) ROCK2ROCK1CDC42BPA

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