SCHEMBL7548818

SCHEMBL7548818

COC(=O)N(C(=O)c1c(F)cccc1F)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.52
EPHX2 P34913 12/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX5AP P20292 1/20 0.48
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7544394 0.90 ALOX5 (0.59) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7548666 0.89 NPC1 (0.61) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL8664403 0.88 EPHX2 (0.47) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7544269 0.88 ALOX5 (0.58) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7540946 0.87 ALOX5 (0.50) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7545580 0.87 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7542386 0.86 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7548146 0.86 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7541445 0.85 ALOX5 (0.51) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7548159 0.85 ALOX5 (0.56) ALOX5EPHX2NPC1RAB9AMAPT

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