SCHEMBL7542618

SCHEMBL7542618

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.60
EPHX2 P34913 12/20 0.60
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALOX5AP P20292 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 1/20 0.52
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL7544152 0.91 ALOX5 (0.59) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7547297 0.91 ALOX5 (0.59) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7541316 0.86 ALOX5 (0.78) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7545496 0.86 ALOX5 (0.63) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7547625 0.85 ALOX5 (0.62) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7542457 0.85 ALOX5 (0.62) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7544335 0.85 ALOX5 (0.71) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7545066 0.84 ALOX5 (0.61) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7548440 0.84 SMN1; SMN2 (0.66) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7551679 0.84 ALOX5 (0.60) 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