SCHEMBL7548162

SCHEMBL7548162

COC(=O)Nc1ccc(OCc2nc3cccc(OC)c3s2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.56
EPHX2 P34913 6/20 0.56
ALOX5AP P20292 1/20 0.51
MAPT P10636 5/20 0.47
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDR P35968 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PPARD Q03181 5/20 0.42
EGFR P00533 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7547598 0.89 ALOX5 (0.55) ALOX5EPHX2ALOX5APMAPTNPC1
SCHEMBL7545122 0.89 EPHX2 (0.64) ALOX5EPHX2ALOX5APMAPTNPC1
SCHEMBL7545048 0.85 ALOX5 (0.55) ALOX5EPHX2ALOX5APMAPTNPC1
SCHEMBL7542390 0.85 ALOX5 (0.76) ALOX5EPHX2ALOX5APMAPTNPC1
SCHEMBL7543383 0.84 NPC1 (0.54) ALOX5EPHX2MAPTNPC1RAB9A
SCHEMBL7545438 0.82 ALOX5 (0.61) ALOX5EPHX2ALOX5APMAPTNPC1
SCHEMBL7543961 0.82 ALOX5 (0.61) ALOX5EPHX2ALOX5APMAPTNPC1
SCHEMBL7545138 0.81 ALOX5 (0.62) ALOX5EPHX2ALOX5APMAPTNPC1
SCHEMBL7542358 0.81 ALOX5 (0.62) ALOX5EPHX2ALOX5APMAPTNPC1
SCHEMBL7544370 0.80 ALOX5 (0.59) ALOX5EPHX2ALOX5APMAPTNPC1

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