SCHEMBL7548159

SCHEMBL7548159

COCC(=O)N(C(=O)OC)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.56
EPHX2 P34913 12/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HTT P42858 1/20 0.56
ALOX5AP P20292 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.46

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
SCHEMBL7546652 0.94 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7548666 0.93 NPC1 (0.61) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7549596 0.93 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7543081 0.93 ALOX5 (0.56) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7541552 0.93 ALOX5 (0.56) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7548750 0.92 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7541117 0.91 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7544229 0.91 ALOX5 (0.56) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7545373 0.90 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7541352 0.89 ALOX5 (0.53) 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