SCHEMBL7543735

SCHEMBL7543735

OC(=S)Nc1ccc(OCc2nc3ccccc3s2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.76
EPHX2 P34913 10/20 0.76
NPC1 O15118 6/20 0.73
RAB9A P51151 5/20 0.73
SMN1; SMN2 Q16637 4/20 0.69
MAPT P10636 4/20 0.69
ALDH1A1 P00352 2/20 0.69
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
L3MBTL1 Q9Y468 2/20 0.68
MAPK1 P28482 1/20 0.68
KDM4E B2RXH2 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 1/20 0.52
ALOX5AP P20292 1/20 0.50

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
SCHEMBL7543751 0.96 ALOX5 (0.71) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7543746 0.89 NPC1 (0.72) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7541574 0.88 NPC1 (0.74) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL8769691 0.88 EPHX2 (0.84) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7543728 0.84 EPHX2 (0.78) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7544458 0.84 NPC1 (0.79) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7544973 0.83 NPC1 (0.77) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
2-(Phenoxymethyl)Benzothiazole SCHEMBL8666960 0.83 NPC1 (0.83) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
2-(Phenoxymethyl)Benzothiazole SCHEMBL2245843 0.82 NPC1 (1.00) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7541569 0.82 NPC1 (0.76) ALOX5EPHX2NPC1RAB9ASMN1; SMN2

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