SCHEMBL7548910

SCHEMBL7548910

COC(=O)N(COCc1ccccc1)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.55
EPHX2 P34913 12/20 0.55
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 1/20 0.52
ALOX5AP P20292 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL7544215 0.91 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7550263 0.90 ALOX5 (0.58) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL8667390 0.89 NPC1 (0.51) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7544804 0.89 ALOX5 (0.53) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7550220 0.89 ALOX5 (0.52) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7545448 0.89 ALOX5 (0.52) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7542093 0.88 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7543812 0.88 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7541340 0.87 ALOX5 (0.51) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7541344 0.87 ALOX5 (0.51) 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