SCHEMBL7540994

SCHEMBL7540994

CC(=O)Nc1c(C)cc(OCc2nc3ccccc3s2)c(C)c1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.58
ALOX5 P09917 10/20 0.58
NPC1 O15118 5/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 4/20 0.52
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL7549749 0.91 EPHX2 (0.57) EPHX2ALOX5NPC1CYP1A2CYP2C19
SCHEMBL7542789 0.86 EPHX2 (0.62) EPHX2ALOX5NPC1CYP1A2CYP2C19
SCHEMBL7545428 0.84 EPHX2 (0.62) EPHX2ALOX5NPC1CYP1A2CYP2C19
SCHEMBL7550313 0.83 NPC1 (0.58) EPHX2ALOX5NPC1CYP1A2CYP2C19
SCHEMBL7548867 0.82 EPHX2 (0.81) EPHX2ALOX5NPC1CYP1A2CYP2C19
SCHEMBL8663823 0.81 EPHX2 (0.61) EPHX2ALOX5NPC1CYP1A2CYP2C19
SCHEMBL7541747 0.81 EPHX2 (0.54) EPHX2ALOX5NPC1CYP1A2CYP2C19
SCHEMBL7550177 0.80 EPHX2 (0.56) EPHX2ALOX5NPC1CYP1A2CYP2C19
SCHEMBL7541546 0.80 EPHX2 (0.55) EPHX2ALOX5NPC1CYP1A2CYP2C19
SCHEMBL7550293 0.78 EPHX2 (0.60) EPHX2ALOX5NPC1CYP1A2CYP2C19

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