SCHEMBL7544788

SCHEMBL7544788

O=[N+]([O-])c1ccc(OCc2nc3ccccc3s2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.68
RAB9A P51151 6/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
MAPK1 P28482 1/20 0.68
KMT2A Q03164 2/20 0.65
ALOX5 P09917 6/20 0.58
EPHX2 P34913 6/20 0.58
MAPT P10636 5/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 1/20 0.56
APP P05067 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL10758257 0.86 NPC1 (0.63) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7545039 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL16044245 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
2-(Phenoxymethyl)Benzothiazole SCHEMBL2245843 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL30354907 0.81 EPHX2 (0.59) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7543995 0.81 NPC1 (0.66) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL29151274 0.81 EPHX2 (0.59) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL30354837 0.80 NPC1 (0.66) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL29151295 0.80 NPC1 (0.66) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7541252 0.79 NPC1 (0.77) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115955968-A Carbohydrazone acyldinitrile compounds comprising at least two aryl or heteroaryl groups connected by a novel linker and uses thereof 韩国科学技术研究院 2023-04-11 CN disclosed
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
CN-1073097-C Aniline derivatives having herbicidal activity their prepn. and their use SANKYO CO (JP) 2001-10-17 CN disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
CN-1176962-A Aniline derivatives having herbicidal activity their prepn. and their use SANKYO CO (JP) 1998-03-25 CN disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed