SCHEMBL3242928

SCHEMBL3242928

C/C=C/CCCOc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.46
CSNK1D P48730 2/20 0.44
NTRK1 P04629 1/20 0.43
NTRK2 Q16620 1/20 0.43
MAPT P10636 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GLS O94925 1/20 0.42
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRKACA P17612 1/20 0.41
TP53 P04637 1/20 0.41
PDGFRB P09619 2/20 0.40
FLT4 P35916 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CSF1R P07333 1/20 0.40
FLT3 P36888 1/20 0.40
KDM6B O15054 1/20 0.40
KDM5A P29375 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
SCHEMBL3242932 1.00 ROCK1 (0.46) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3231621 0.97 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3231616 0.97 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3235462 0.96 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3235455 0.96 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3242918 0.95 ROCK1 (0.47) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3242916 0.95 ROCK1 (0.47) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3236340 0.92 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3236337 0.92 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3242941 0.92 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