SCHEMBL7548768

SCHEMBL7548768

CC(=O)Nc1cc(Br)c(OCc2nc3ccccc3s2)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.56
ALOX5 P09917 14/20 0.56
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL7541403 0.89 EPHX2 (0.60) EPHX2ALOX5ALDH1A1MAPTMEN1
SCHEMBL8663823 0.88 EPHX2 (0.61) EPHX2ALOX5ALDH1A1MAPTMEN1
SCHEMBL7546689 0.86 NPC1 (0.58) EPHX2ALOX5ALDH1A1MAPTMEN1
SCHEMBL7544458 0.81 NPC1 (0.79) EPHX2ALOX5ALDH1A1MAPTMEN1
SCHEMBL7544315 0.81 EPHX2 (0.71) EPHX2ALOX5ALDH1A1MAPTMEN1
SCHEMBL7548867 0.79 EPHX2 (0.81) EPHX2ALOX5ALDH1A1MAPTMEN1
SCHEMBL7541747 0.78 EPHX2 (0.54) EPHX2ALOX5ALDH1A1MAPTMEN1
SCHEMBL7548791 0.78 EPHX2 (0.64) EPHX2ALOX5ALDH1A1MAPTMEN1
SCHEMBL7543433 0.78 EPHX2 (0.64) EPHX2ALOX5ALDH1A1MAPTMEN1
SCHEMBL7543755 0.78 EPHX2 (0.64) EPHX2ALOX5ALDH1A1MAPTMEN1

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