SCHEMBL7548826

SCHEMBL7548826

COC(=O)Nc1ccc(OCc2nc3cccc(Cl)c3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.58
ALOX5 P09917 11/20 0.58
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TYK2 P29597 1/20 0.46
ALOX5AP P20292 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7542414 0.90 EPHX2 (0.59) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7543836 0.88 NPC1 (0.54) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7543383 0.88 NPC1 (0.54) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7543782 0.87 NPC1 (0.53) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7545122 0.85 EPHX2 (0.64) EPHX2ALOX5NPC1RAB9AMAPT
SCHEMBL7544973 0.82 NPC1 (0.77) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7543692 0.79 MAPT (0.54) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7551712 0.78 EPHX2 (0.64) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7544356 0.78 EPHX2 (0.64) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7545465 0.78 MEN1 (0.55) EPHX2ALOX5NPC1RAB9ASMN1; SMN2

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