SCHEMBL7548867

SCHEMBL7548867

CC(=O)Nc1ccc(OCc2nc3ccccc3s2)c(C)c1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.81
ALOX5 P09917 12/20 0.81
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 2/20 0.56
ALOX5AP P20292 1/20 0.55
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL7549703 0.90 EPHX2 (0.79) EPHX2ALOX5NPC1ALDH1A1MAPT
SCHEMBL7544315 0.88 EPHX2 (0.71) EPHX2ALOX5NPC1ALDH1A1MAPT
SCHEMBL7543755 0.88 EPHX2 (0.64) EPHX2ALOX5NPC1ALDH1A1MAPT
SCHEMBL7543433 0.88 EPHX2 (0.64) EPHX2ALOX5NPC1ALDH1A1MAPT
SCHEMBL7548721 0.88 EPHX2 (0.64) EPHX2ALOX5NPC1ALDH1A1MAPT
SCHEMBL7548791 0.88 EPHX2 (0.64) EPHX2ALOX5NPC1ALDH1A1MAPT
SCHEMBL8663823 0.87 EPHX2 (0.61) EPHX2ALOX5NPC1ALDH1A1MAPT
SCHEMBL7542517 0.86 EPHX2 (0.62) EPHX2ALOX5NPC1ALDH1A1MAPT
SCHEMBL7547533 0.86 EPHX2 (0.61) EPHX2ALOX5NPC1ALDH1A1MAPT
SCHEMBL7548717 0.85 EPHX2 (0.61) EPHX2ALOX5NPC1ALDH1A1MAPT

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