SCHEMBL3226719

SCHEMBL3226719

CCCOc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.50
CSNK1D P48730 2/20 0.48
CTPS1 P17812 1/20 0.47
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 1/20 0.47
MAPT P10636 8/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PRKACA P17612 1/20 0.45
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 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
SCHEMBL3233383 0.95 CSNK1D (0.49) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3233452 0.94 ROCK1 (0.49) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3232644 0.93 PLA2G4B (0.50) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3235893 0.92 CSNK1D (0.56) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3237423 0.91 ROCK1 (0.48) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3232502 0.91 ROCK1 (0.49) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3229341 0.91 ROCK1 (0.46) ROCK1CSNK1DCTPS1NTRK1NTRK2
SCHEMBL3229388 0.90 ROCK1 (0.47) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3235944 0.90 ROCK1 (0.47) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3237711 0.90 ROCK1 (0.49) ROCK1CSNK1DNTRK1NTRK2MAPT

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 3 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
WO-2010024365-A1 AMIDE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-04 WO disclosed