SCHEMBL3236274

SCHEMBL3236274

CCCC/C=C/CCOc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.45
CSNK1D P48730 2/20 0.43
P2RY14 Q15391 1/20 0.42
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
MAPT P10636 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTPS1 P17812 1/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLS O94925 2/20 0.41
PLA2G4B P0C869 1/20 0.40

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
SCHEMBL3236281 1.00 ROCK1 (0.45) ROCK1CSNK1DP2RY14NTRK1NTRK2
SCHEMBL3242941 0.94 ROCK1 (0.45) ROCK1CSNK1DP2RY14NTRK1NTRK2
SCHEMBL3242939 0.94 ROCK1 (0.45) ROCK1CSNK1DP2RY14NTRK1NTRK2
SCHEMBL3242651 0.93 ROCK1 (0.46) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3242655 0.93 ROCK1 (0.46) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3236340 0.92 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3236337 0.92 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3233383 0.92 CSNK1D (0.49) ROCK1CSNK1DP2RY14NTRK1NTRK2
SCHEMBL3237677 0.91 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3237684 0.91 ROCK1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010024422-A1 AMIDE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-04 WO disclosed