SCHEMBL3226641

SCHEMBL3226641

COc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
CSNK1D P48730 3/20 0.58
ROCK1 Q13464 4/20 0.57
PRKACA P17612 3/20 0.57
USP2 O75604 1/20 0.57
KDM6B O15054 1/20 0.55
KDM5A P29375 1/20 0.55
KDM4D Q6B0I6 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
KDM5B Q9UGL1 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55
KDM3A Q9Y4C1 1/20 0.55
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK8 P45983 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
PDGFRB P09619 2/20 0.52
FLT4 P35916 2/20 0.52

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
SCHEMBL3235893 0.90 CSNK1D (0.56) MAPTCSNK1DROCK1PRKACARAB9A
SCHEMBL3232502 0.90 ROCK1 (0.49) MAPTCSNK1DROCK1PRKACAUSP2
SCHEMBL3237711 0.89 ROCK1 (0.49) MAPTCSNK1DROCK1PRKACAUSP2
SCHEMBL3233424 0.89 ROCK1 (0.49) MAPTCSNK1DROCK1PRKACAUSP2
SCHEMBL3226719 0.89 ROCK1 (0.50) MAPTCSNK1DROCK1PRKACARAB9A
SCHEMBL1681023 0.88 ROCK1 (0.54) MAPTROCK1USP2KDM6BKDM5A
SCHEMBL3232672 0.88 ROCK1 (0.48) MAPTCSNK1DROCK1PRKACAUSP2
SCHEMBL13491695 0.88 RAB9A (0.63) MAPTCSNK1DROCK1KDM4CRAB9A
SCHEMBL3233383 0.88 CSNK1D (0.49) MAPTCSNK1DROCK1RAB9AMEN1
SCHEMBL13491574 0.87 ROCK1 (0.53) MAPTROCK1USP2RAB9AALDH1A1

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-2010024365-A1 AMIDE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-04 WO claimed
WO-2010024365-A1 AMIDE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-04 WO disclosed