SCHEMBL3237684

SCHEMBL3237684

CCC=CCCCCOc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.45
CSNK1D P48730 2/20 0.43
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
MAPT P10636 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 2/20 0.41
FAAH O00519 1/20 0.41
CNR1 P21554 1/20 0.41
KDM6B O15054 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 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

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
SCHEMBL3237677 1.00 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3236337 0.97 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3236340 0.97 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3242655 0.95 ROCK1 (0.46) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3242651 0.95 ROCK1 (0.46) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3231621 0.92 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3242939 0.92 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3242941 0.92 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3231616 0.92 ROCK1 (0.45) ROCK1CSNK1DNTRK1NTRK2MAPT
SCHEMBL3235455 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