SCHEMBL7542401

SCHEMBL7542401

CC(=O)Nc1ccc(OCc2nc3ccc(F)c(C)c3s2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.52
EPHX2 P34913 7/20 0.52
ALOX5AP P20292 1/20 0.47
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK14 Q16539 1/20 0.39
PPARD Q03181 2/20 0.37
ALDH1A1 P00352 3/20 0.37
PPARG P37231 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
POLB P06746 1/20 0.36
HPN P05981 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7541152 0.90 EPHX2 (0.54) ALOX5EPHX2ALOX5APRAB9ANPC1
SCHEMBL7541784 0.84 ALOX5 (0.58) ALOX5EPHX2ALOX5APRAB9ANPC1
SCHEMBL7550234 0.83 ALOX5 (0.57) ALOX5EPHX2ALOX5APRAB9ANPC1
SCHEMBL7545175 0.83 ALOX5 (0.60) ALOX5EPHX2ALOX5APRAB9ANPC1
SCHEMBL7548069 0.81 ALOX5 (0.62) ALOX5EPHX2ALOX5APRAB9ANPC1
SCHEMBL7544353 0.81 ALOX5 (0.62) ALOX5EPHX2ALOX5APRAB9ANPC1
SCHEMBL7543794 0.80 ALOX5 (0.60) ALOX5EPHX2ALOX5APRAB9ANPC1
SCHEMBL7541457 0.80 ALOX5 (0.56) ALOX5EPHX2ALOX5APRAB9ANPC1
SCHEMBL7543795 0.80 ALOX5 (0.61) ALOX5EPHX2ALOX5APRAB9ANPC1
SCHEMBL7541316 0.79 ALOX5 (0.78) ALOX5EPHX2ALOX5APRAB9ANPC1

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