SCHEMBL8664403

SCHEMBL8664403

COC(=O)N(C(=O)c1c(F)cc(OCc2nc3ccccc3s2)cc1F)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.47
ALOX5 P09917 11/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.44
ALOX5AP P20292 1/20 0.44

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
SCHEMBL8668510 0.89 EPHX2 (0.52) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7548818 0.88 ALOX5 (0.52) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL8668195 0.85 NPC1 (0.53) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL8664004 0.85 ALOX5 (0.54) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL8664251 0.84 ALOX5 (0.50) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL8668165 0.82 ALOX5 (0.55) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL8666755 0.82 NPC1 (0.54) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7545580 0.81 ALOX5 (0.54) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7548666 0.81 NPC1 (0.61) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7544394 0.81 ALOX5 (0.59) EPHX2ALOX5NPC1RAB9AMAPT

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
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed