SCHEMBL7540909

SCHEMBL7540909

COC(=O)c1cc(OCc2nc3ccccc3s2)cc(Cl)c1NC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.54
EPHX2 P34913 15/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
ALOX5AP P20292 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7550293 0.91 EPHX2 (0.60) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7545066 0.84 ALOX5 (0.61) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7542789 0.81 EPHX2 (0.62) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7544335 0.81 ALOX5 (0.71) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7542613 0.80 EPHX2 (0.62) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7550177 0.80 EPHX2 (0.56) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7545496 0.78 ALOX5 (0.63) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7542517 0.77 EPHX2 (0.62) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7541403 0.77 EPHX2 (0.60) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7545486 0.76 ALOX5 (0.69) ALOX5EPHX2NPC1RAB9ASMN1; 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