SCHEMBL7546602

SCHEMBL7546602

COC(=O)N(CC(=O)c1ccc(Cl)cc1)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.58
ALOX5 P09917 12/20 0.58
ALOX5AP P20292 1/20 0.51
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7544440 0.93 ALOX5 (0.56) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL7547430 0.89 EPHX2 (0.57) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL8668350 0.88 NPC1 (0.52) EPHX2ALOX5MAPTNPC1RAB9A
SCHEMBL7542113 0.87 NPC1 (0.58) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL7544340 0.86 EPHX2 (0.60) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL7545201 0.86 EPHX2 (0.57) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL7548787 0.84 ALOX5 (0.54) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL7543815 0.84 ALOX5 (0.54) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL7550263 0.84 ALOX5 (0.58) EPHX2ALOX5ALOX5APMAPTNPC1
SCHEMBL7543823 0.83 ALOX5 (0.56) EPHX2ALOX5ALOX5APMAPTNPC1

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 2 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
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed