SCHEMBL7548261

SCHEMBL7548261

COC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.61
EPHX2 P34913 12/20 0.61
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
ALOX5AP P20292 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
MAPK1 P28482 1/20 0.51

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
SCHEMBL7547625 0.91 ALOX5 (0.62) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7542390 0.88 ALOX5 (0.76) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7543872 0.88 ALOX5 (0.61) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7541434 0.88 MAPT (0.66) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7545486 0.88 ALOX5 (0.69) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7541040 0.87 ALOX5 (0.58) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7544152 0.86 ALOX5 (0.59) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL27559812 0.86 ALOX5 (0.59) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7544628 0.86 ALOX5 (0.59) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7551610 0.84 ALOX5 (0.57) 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