SCHEMBL7548176

SCHEMBL7548176

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 3/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
ALOX5 P09917 7/20 0.60
EPHX2 P34913 7/20 0.60
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
PKM P14618 1/20 0.51

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
SCHEMBL7544483 0.88 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL7545587 0.84 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL11131775 0.79 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9564275 0.79 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL7544973 0.79 NPC1 (0.77) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL7548666 0.78 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL7544468 0.78 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL8666755 0.78 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL8387021 0.78 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL7544458 0.78 NPC1 (0.79) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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