SCHEMBL7543794

SCHEMBL7543794

CC(=O)Nc1ccc(OCc2nc3cc(Cl)c(F)cc3s2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.60
EPHX2 P34913 14/20 0.60
ALOX5AP P20292 1/20 0.56
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL7541784 0.92 ALOX5 (0.58) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7548209 0.91 EPHX2 (0.63) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7550234 0.89 ALOX5 (0.57) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7545144 0.88 EPHX2 (0.59) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7550272 0.87 ALOX5 (0.53) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7543769 0.86 ALOX5 (0.55) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7545175 0.85 ALOX5 (0.60) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7545407 0.85 EPHX2 (0.66) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7548069 0.85 ALOX5 (0.62) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7548333 0.83 ALOX5 (0.62) ALOX5EPHX2ALOX5APNPC1RAB9A

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