SCHEMBL7550293

SCHEMBL7550293

CC(=O)Nc1c(Cl)cc(OCc2nc3ccccc3s2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.60
ALOX5 P09917 14/20 0.60
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
ALOX5AP P20292 1/20 0.55
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 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
SCHEMBL7540909 0.91 ALOX5 (0.54) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7542789 0.88 EPHX2 (0.62) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7544335 0.87 ALOX5 (0.71) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7542613 0.86 EPHX2 (0.62) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7550177 0.86 EPHX2 (0.56) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7541403 0.82 EPHX2 (0.60) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7545486 0.82 ALOX5 (0.69) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7544458 0.81 NPC1 (0.79) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7544315 0.81 EPHX2 (0.71) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7549433 0.81 EPHX2 (0.58) 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