SCHEMBL3242941

SCHEMBL3242941

CCCC=CCCCOc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.45
CSNK1D P48730 3/20 0.45
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
MAPT P10636 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLS O94925 1/20 0.41
P2RY14 Q15391 1/20 0.41
NLRP3 Q96P20 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3242939 1.00 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3236337 0.95 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3236340 0.95 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3236281 0.94 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3236274 0.94 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3237684 0.92 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3237677 0.92 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3242928 0.92 ROCK1 (0.46) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3242932 0.92 ROCK1 (0.46) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3235079 0.92 ROCK1 (0.46) 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