SCHEMBL7543790

SCHEMBL7543790

COC(=O)Nc1cc(Cl)c(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.60
ALOX5 P09917 15/20 0.60
ALOX5AP P20292 1/20 0.56
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL7548430 0.92 EPHX2 (0.57) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7543764 0.91 EPHX2 (0.61) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7543489 0.86 EPHX2 (0.54) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7544364 0.84 EPHX2 (0.69) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7542390 0.82 ALOX5 (0.76) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7549433 0.82 EPHX2 (0.58) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7545486 0.82 ALOX5 (0.69) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7549749 0.82 EPHX2 (0.57) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7541461 0.81 EPHX2 (0.57) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7545428 0.81 EPHX2 (0.62) EPHX2ALOX5ALOX5APNPC1RAB9A

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