SCHEMBL7545014

SCHEMBL7545014

CC(=O)OC(CCl)N(C(C)=O)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
ALOX5 P09917 12/20 0.52
EPHX2 P34913 12/20 0.52
ALOX5AP P20292 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL7546054 0.87 EPHX2 (0.54) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7548813 0.83 NPC1 (0.64) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7548799 0.82 EPHX2 (0.52) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7545037 0.82 NPC1 (0.62) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7544811 0.81 ALOX5 (0.53) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7543779 0.81 NPC1 (0.58) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7544482 0.80 NPC1 (0.60) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7548782 0.80 ALOX5 (0.57) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7548731 0.80 ALOX5 (0.57) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7543038 0.79 NPC1 (0.58) NPC1RAB9AMAPTL3MBTL1HTT

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 2 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
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed