SCHEMBL3229341

SCHEMBL3229341

CCCC#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 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRKACA P17612 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 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
SCHEMBL3242630 0.95 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3239566 0.95 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3232875 0.94 ROCK1 (0.46) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3234797 0.92 ROCK1 (0.47) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3226719 0.91 ROCK1 (0.50) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3239745 0.90 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3233383 0.90 CSNK1D (0.49) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3236167 0.89 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3233452 0.89 ROCK1 (0.49) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3235068 0.88 ROCK1 (0.48) 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