SCHEMBL7545407

SCHEMBL7545407

CC(=O)Nc1ccc(OCc2nc3cc(Cl)ccc3s2)cc1C

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.66
ALOX5 P09917 13/20 0.66
ALOX5AP P20292 1/20 0.59
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARD Q03181 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
SCHEMBL7546650 0.91 EPHX2 (0.65) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7551643 0.91 ALOX5 (0.56) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7548333 0.90 ALOX5 (0.62) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7548540 0.89 EPHX2 (0.53) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7544391 0.89 ALOX5 (0.61) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7548209 0.88 EPHX2 (0.63) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7548069 0.88 ALOX5 (0.62) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7541316 0.86 ALOX5 (0.78) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7541581 0.85 ALOX5 (0.57) EPHX2ALOX5ALOX5APNPC1RAB9A
SCHEMBL7543794 0.85 ALOX5 (0.60) EPHX2ALOX5ALOX5APNPC1RAB9A

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