SCHEMBL7544804

SCHEMBL7544804

COC(=O)N(COC(=O)Cc1ccccc1)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.53
EPHX2 P34913 11/20 0.53
RAB9A P51151 4/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 2/20 0.50
ALOX5AP P20292 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7541072 0.91 ALOX5 (0.53) ALOX5EPHX2RAB9AMAPTNPC1
SCHEMBL7548796 0.90 ALOX5 (0.52) ALOX5EPHX2RAB9AMAPTNPC1
SCHEMBL7546052 0.90 EPHX2 (0.53) ALOX5EPHX2RAB9AMAPTNPC1
SCHEMBL7541628 0.89 ALOX5 (0.51) ALOX5EPHX2RAB9AMAPTNPC1
SCHEMBL7548910 0.89 ALOX5 (0.55) ALOX5EPHX2RAB9AMAPTNPC1
SCHEMBL7543812 0.89 ALOX5 (0.54) ALOX5EPHX2RAB9AMAPTNPC1
SCHEMBL7542093 0.89 ALOX5 (0.54) ALOX5EPHX2RAB9AMAPTNPC1
SCHEMBL7548410 0.88 ALOX5 (0.51) ALOX5EPHX2RAB9AMAPTNPC1
SCHEMBL7549563 0.88 ALOX5 (0.51) ALOX5EPHX2RAB9AMAPTNPC1
SCHEMBL7550277 0.88 ALOX5 (0.54) ALOX5EPHX2RAB9AMAPTNPC1

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