SCHEMBL7544259

SCHEMBL7544259

COC(=O)Nc1ccc(OCc2nc3ccc(Cl)cc3s2)cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.65
ALOX5 P09917 13/20 0.65
ALOX5AP P20292 1/20 0.58
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTPN1 P18031 1/20 0.44
DCLK1 O15075 1/20 0.43
FES P07332 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
IRAK1 P51617 1/20 0.43
MAP4K2 Q12851 1/20 0.43
NTRK3 Q16288 1/20 0.43
HIPK4 Q8NE63 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 0.92 EPHX2 (0.65) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL7545138 0.91 ALOX5 (0.62) EPHX2ALOX5ALOX5APLMNANPC1
SCHEMBL7543961 0.90 ALOX5 (0.61) EPHX2ALOX5ALOX5APLMNANPC1
SCHEMBL7544370 0.88 ALOX5 (0.59) EPHX2ALOX5ALOX5APLMNANPC1
SCHEMBL7542390 0.87 ALOX5 (0.76) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL7544356 0.85 EPHX2 (0.64) EPHX2ALOX5ALOX5APLMNANPC1
SCHEMBL7548855 0.85 ALOX5 (0.56) EPHX2ALOX5ALOX5APLMNADYRK1A
SCHEMBL7542358 0.85 ALOX5 (0.62) EPHX2ALOX5ALOX5APLMNANPC1
SCHEMBL7545438 0.84 ALOX5 (0.61) EPHX2ALOX5ALOX5APNPC1MAPT
SCHEMBL7545407 0.83 EPHX2 (0.66) 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