SCHEMBL7542015

SCHEMBL7542015

COC(=O)N(CCSC)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.54
EPHX2 P34913 12/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
ALOX5AP P20292 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 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
SCHEMBL7544846 0.91 ALOX5 (0.52) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7542598 0.91 ALOX5 (0.55) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7543823 0.90 ALOX5 (0.56) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7542113 0.88 NPC1 (0.58) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7547601 0.88 ALOX5 (0.56) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7550263 0.87 ALOX5 (0.58) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7549423 0.87 ALOX5 (0.53) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7545098 0.87 ALOX5 (0.53) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7543510 0.86 ALOX5 (0.52) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7548787 0.86 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT

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