SCHEMBL7549703

SCHEMBL7549703

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

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.79
ALOX5 P09917 13/20 0.79
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
PKM P14618 1/20 0.54
ALOX5AP P20292 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
SCHEMBL7548867 0.90 EPHX2 (0.81) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7543882 0.89 EPHX2 (0.64) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7542556 0.88 EPHX2 (0.63) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7544364 0.88 EPHX2 (0.69) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7544658 0.86 EPHX2 (0.60) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7543764 0.85 EPHX2 (0.61) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7544956 0.85 EPHX2 (0.59) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7544973 0.83 NPC1 (0.77) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7549749 0.82 EPHX2 (0.57) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7540889 0.82 NPC1 (0.58) EPHX2ALOX5NPC1RAB9AMAPT

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