SCHEMBL13200859

SCHEMBL13200859

O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.67
APP P05067 1/20 0.66
ROCK1 Q13464 3/20 0.63
PRKACA P17612 1/20 0.63
RORC P51449 4/20 0.62
KMT2A Q03164 3/20 0.58
WNT3A P56704 2/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
ROCK2 O75116 1/20 0.57

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
SCHEMBL11290507 0.87 MAPT (0.60) APPROCK1RORCKMT2AMEN1
SCHEMBL208697 0.86 MEN1 (0.72) ROCK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11290339 0.84 ABL1 (0.73) ROCK1RORCKMT2AMEN1MAPT
SCHEMBL19380614 0.81 ELOVL1 (1.00) ELOVL1APPROCK1PRKACARORC
SCHEMBL13200878 0.81 RAB9A (0.63) ELOVL1APPROCK1PRKACAKMT2A
SCHEMBL3615467 0.81 KMT2A (0.88) ELOVL1ROCK1PRKACARORCKMT2A
SCHEMBL13357345 0.81 WNT3A (0.83) ELOVL1ROCK1PRKACARORCKMT2A
SCHEMBL11287330 0.78 NPC1 (0.70) KMT2AMEN1ALDH1A1MAPT
SCHEMBL13357604 0.78 ROCK1 (1.00) ELOVL1APPROCK1PRKACAKMT2A
SCHEMBL12303085 0.77 WNT3A (0.90) ELOVL1APPROCK1PRKACARORC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed