SCHEMBL3235462

SCHEMBL3235462

CC=CCCCCCOc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.45
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
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
CSNK1D P48730 2/20 0.41
GLS O94925 4/20 0.41
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRKACA P17612 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 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
SCHEMBL3235455 1.00 ROCK1 (0.45) ROCK1NTRK1NTRK2MAPTL3MBTL1
SCHEMBL3231621 0.99 ROCK1 (0.45) ROCK1NTRK1NTRK2MAPTL3MBTL1
SCHEMBL3231616 0.99 ROCK1 (0.45) ROCK1NTRK1NTRK2MAPTL3MBTL1
SCHEMBL3242928 0.96 ROCK1 (0.46) ROCK1NTRK1NTRK2MAPTL3MBTL1
SCHEMBL3242932 0.96 ROCK1 (0.46) ROCK1NTRK1NTRK2MAPTL3MBTL1
SCHEMBL3242918 0.94 ROCK1 (0.47) ROCK1NTRK1NTRK2MAPTL3MBTL1
SCHEMBL3242916 0.94 ROCK1 (0.47) ROCK1NTRK1NTRK2MAPTL3MBTL1
SCHEMBL3237677 0.91 ROCK1 (0.45) ROCK1NTRK1NTRK2MAPTL3MBTL1
SCHEMBL3237684 0.91 ROCK1 (0.45) ROCK1NTRK1NTRK2MAPTL3MBTL1
SCHEMBL3242668 0.89 GLS (0.49) ROCK1NTRK1NTRK2MAPTL3MBTL1

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