SCHEMBL7546622

SCHEMBL7546622

COC(=O)Nc1ccc(OCc2nc3cc(F)ccc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.58
EPHX2 P34913 9/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
PTGER4 P35408 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 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
SCHEMBL7548790 0.90 ALOX5 (0.59) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7551726 0.88 MAPT (0.60) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7551712 0.87 EPHX2 (0.64) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7541638 0.86 NPC1 (0.61) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7551585 0.86 ALOX5 (0.57) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7543869 0.86 MAPT (0.58) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7541777 0.85 ALOX5 (0.61) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7543921 0.85 ALOX5 (0.56) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7544620 0.85 MAPT (0.50) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7545502 0.85 MAPT (0.61) 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