SCHEMBL7544483

SCHEMBL7544483

CC(=O)N(C)c1ccc(OCc2nc3ccccc3s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MAPK1 P28482 1/20 0.61
MAPT P10636 3/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
ALOX5 P09917 7/20 0.60
EPHX2 P34913 7/20 0.60
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL7548176 0.88 NPC1 (0.61) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7545037 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7544468 0.82 NPC1 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7544458 0.80 NPC1 (0.79) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
2-(Phenoxymethyl)Benzothiazole SCHEMBL2245843 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7548813 0.77 NPC1 (0.64) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL9428008 0.77 NPC1 (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
Propionic Acid SCHEMBL9428064 0.77 NPC1 (0.68) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL8387021 0.77 NPC1 (0.65) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL11131775 0.77 NPC1 (0.70) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1

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