SCHEMBL7546650

SCHEMBL7546650

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.65
ALOX5 P09917 13/20 0.65
ALOX5AP P20292 1/20 0.58
AGPAT2 O15120 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7544259 0.92 EPHX2 (0.65) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL7545407 0.91 EPHX2 (0.66) EPHX2ALOX5ALOX5APTRPV1NPC1
SCHEMBL7542358 0.91 ALOX5 (0.62) EPHX2ALOX5ALOX5APTRPV1NPC1
SCHEMBL7545438 0.90 ALOX5 (0.61) EPHX2ALOX5ALOX5APTRPV1NPC1
SCHEMBL7541777 0.88 ALOX5 (0.61) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL7542390 0.87 ALOX5 (0.76) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL7551712 0.85 EPHX2 (0.64) EPHX2ALOX5ALOX5APAGPAT2TRPV1
SCHEMBL7542575 0.85 ALOX5 (0.56) EPHX2ALOX5ALOX5APAGPAT2TRPV1
SCHEMBL7545138 0.85 ALOX5 (0.62) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL7543961 0.84 ALOX5 (0.61) EPHX2ALOX5ALOX5APNPC1MAPT

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