SCHEMBL7542390

SCHEMBL7542390

COC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.76
EPHX2 P34913 13/20 0.76
ALOX5AP P20292 1/20 0.69
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
MAPT P10636 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPK1 P28482 1/20 0.52

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
SCHEMBL7548473 0.92 ALOX5 (0.74) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7541316 0.90 ALOX5 (0.78) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7541610 0.90 ALOX5 (0.71) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7545138 0.89 ALOX5 (0.62) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7547541 0.89 ALOX5 (0.76) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7542358 0.89 ALOX5 (0.62) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7544371 0.89 ALOX5 (0.70) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7545438 0.88 ALOX5 (0.61) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7545486 0.88 ALOX5 (0.69) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7548261 0.88 ALOX5 (0.61) ALOX5EPHX2ALOX5APNPC1RAB9A

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 14 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 claimed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US claimed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP claimed
JP-11079912-A None JP disclosed
JP-11079915-A None JP disclosed
JP-11079914-A None JP disclosed
JP-11079913-A None JP disclosed
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
JP-H1179915-A HERBICIDAL COMPOSITION CONTAINING ANILINE DERIVATIVE SANKYO CO LTD 1999-03-23 JP disclosed
JP-H1179914-A HERBICIDAL COMPOSITION CONTAINING ANILINE DERIVATIVE SANKYO CO LTD 1999-03-23 JP disclosed
JP-H1179913-A HERBICIDAL COMPOSITION CONTAINING HERBICIDAL ANILINE DERIVATIVE SANKYO CO LTD 1999-03-23 JP disclosed
JP-H1179912-A HERBICIDAL COMPOSITION CONTAINING HERBICIDAL ANILINE DERIVATIVE SANKYO CO LTD 1999-03-23 JP 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