SCHEMBL7541546

SCHEMBL7541546

CC(=O)Nc1cc(C(C)C)c(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.55
ALOX5 P09917 11/20 0.55
NPC1 O15118 4/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
TP53 P04637 1/20 0.49
ALOX5AP P20292 1/20 0.49
RAB9A P51151 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 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
SCHEMBL7543489 0.91 EPHX2 (0.54) EPHX2ALOX5NPC1MAPTPOLB
SCHEMBL7545428 0.89 EPHX2 (0.62) EPHX2ALOX5NPC1MAPTTP53
SCHEMBL7541640 0.82 ALOX5 (0.60) EPHX2ALOX5NPC1MAPTPOLB
SCHEMBL7541316 0.81 ALOX5 (0.78) EPHX2ALOX5NPC1MAPTALOX5AP
SCHEMBL7540994 0.80 EPHX2 (0.58) EPHX2ALOX5NPC1MAPTTP53
SCHEMBL7543764 0.80 EPHX2 (0.61) EPHX2ALOX5NPC1MAPTALOX5AP
SCHEMBL7550313 0.79 NPC1 (0.58) EPHX2ALOX5NPC1MAPTTP53
SCHEMBL7548867 0.79 EPHX2 (0.81) EPHX2ALOX5NPC1MAPTALOX5AP
SCHEMBL7549433 0.78 EPHX2 (0.58) EPHX2ALOX5NPC1MAPTALOX5AP
SCHEMBL7541747 0.78 EPHX2 (0.54) EPHX2ALOX5NPC1MAPTTP53

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