SCHEMBL7542575

SCHEMBL7542575

COC(=O)Nc1ccc(OCc2nc3cc(C(F)(F)F)ccc3s2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.56
EPHX2 P34913 6/20 0.56
ALOX5AP P20292 2/20 0.51
AGPAT2 O15120 1/20 0.48
PPARD Q03181 6/20 0.47
DYRK1A Q13627 1/20 0.46
AKR1B1 P15121 3/20 0.46
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 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
SCHEMBL7548855 0.93 ALOX5 (0.56) ALOX5EPHX2ALOX5APPPARDDYRK1A
SCHEMBL7541581 0.91 ALOX5 (0.57) ALOX5EPHX2ALOX5APPPARDDYRK1A
SCHEMBL7542358 0.88 ALOX5 (0.62) ALOX5EPHX2ALOX5APPPARDDYRK1A
SCHEMBL7541777 0.87 ALOX5 (0.61) ALOX5EPHX2ALOX5APDYRK1ANPC1
SCHEMBL7545438 0.87 ALOX5 (0.61) ALOX5EPHX2ALOX5APPPARDDYRK1A
SCHEMBL7546650 0.85 EPHX2 (0.65) ALOX5EPHX2ALOX5APAGPAT2NPC1
SCHEMBL7542390 0.84 ALOX5 (0.76) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7546611 0.84 ALOX5 (0.57) ALOX5EPHX2ALOX5APPPARDDYRK1A
SCHEMBL7545138 0.82 ALOX5 (0.62) ALOX5EPHX2ALOX5APDYRK1ANPC1
SCHEMBL7544370 0.82 ALOX5 (0.59) ALOX5EPHX2ALOX5APDYRK1ANPC1

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