SCHEMBL7548841

SCHEMBL7548841

COC(=O)Nc1ccc(OCc2nc3c(C(F)(F)F)cccc3s2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.54
EPHX2 P34913 6/20 0.54
ALOX5AP P20292 1/20 0.49
PPARD Q03181 9/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 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
SCHEMBL7543333 0.91 ALOX5 (0.55) ALOX5EPHX2ALOX5APPPARDMAPT
SCHEMBL7551230 0.89 ALOX5 (0.58) ALOX5EPHX2ALOX5APMAPTNPC1
SCHEMBL7549794 0.89 ALOX5 (0.55) ALOX5EPHX2ALOX5APMAPTNPC1
SCHEMBL7545048 0.87 ALOX5 (0.55) ALOX5EPHX2ALOX5APPPARDMAPT
SCHEMBL7551701 0.85 NPC1 (0.52) ALOX5EPHX2MAPTNPC1RAB9A
SCHEMBL7542390 0.82 ALOX5 (0.76) ALOX5EPHX2ALOX5APMAPTNPC1
SCHEMBL7542575 0.81 ALOX5 (0.56) ALOX5EPHX2ALOX5APPPARDMAPT
SCHEMBL7548855 0.81 ALOX5 (0.56) ALOX5EPHX2ALOX5APPPARD
SCHEMBL7541040 0.81 ALOX5 (0.58) ALOX5EPHX2ALOX5APMAPTNPC1
SCHEMBL7541457 0.80 ALOX5 (0.56) ALOX5EPHX2ALOX5APMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed