SCHEMBL7541747

SCHEMBL7541747

CC(=O)Nc1cc(C)c(OCc2nc3ccccc3s2)c(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.54
ALOX5 P09917 12/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 3/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.50
ALOX5AP P20292 1/20 0.49
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL7545899 0.91 EPHX2 (0.53) EPHX2ALOX5CYP1A2CYP2C19NPC1
SCHEMBL8663823 0.86 EPHX2 (0.61) EPHX2ALOX5CYP1A2CYP2C19NPC1
SCHEMBL7550313 0.85 NPC1 (0.58) EPHX2ALOX5CYP1A2CYP2C19NPC1
SCHEMBL7545428 0.84 EPHX2 (0.62) EPHX2ALOX5CYP1A2CYP2C19NPC1
SCHEMBL7541316 0.82 ALOX5 (0.78) EPHX2ALOX5CYP1A2CYP2C19NPC1
SCHEMBL7540994 0.81 EPHX2 (0.58) EPHX2ALOX5CYP1A2CYP2C19NPC1
SCHEMBL7542789 0.79 EPHX2 (0.62) EPHX2ALOX5CYP1A2CYP2C19NPC1
SCHEMBL7541403 0.78 EPHX2 (0.60) EPHX2ALOX5CYP1A2CYP2C19NPC1
SCHEMBL7548768 0.78 EPHX2 (0.56) EPHX2ALOX5CYP1A2CYP2C19NPC1
SCHEMBL7541546 0.78 EPHX2 (0.55) EPHX2ALOX5CYP1A2CYP2C19NPC1

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