SCHEMBL7544152

SCHEMBL7544152

COC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.59
EPHX2 P34913 12/20 0.59
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALOX5AP P20292 1/20 0.54
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL7541040 0.91 ALOX5 (0.58) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7542618 0.91 ALOX5 (0.60) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7542390 0.87 ALOX5 (0.76) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7545486 0.86 ALOX5 (0.69) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7541434 0.86 MAPT (0.66) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7543872 0.86 ALOX5 (0.61) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7548261 0.86 ALOX5 (0.61) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL27559812 0.84 ALOX5 (0.59) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7544628 0.84 ALOX5 (0.59) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7551610 0.82 ALOX5 (0.57) 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