SCHEMBL7541252

SCHEMBL7541252

Nc1ccc(OCc2nc3ccccc3s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.77
RAB9A P51151 7/20 0.77
SMN1; SMN2 Q16637 5/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
MAPK1 P28482 1/20 0.77
KMT2A Q03164 2/20 0.74
MAPT P10636 5/20 0.67
HTT P42858 1/20 0.67
HPGD P15428 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ALOX5 P09917 6/20 0.61
EPHX2 P34913 6/20 0.61
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.58
PKM P14618 1/20 0.57
UBE2T Q9NPD8 1/20 0.54
ASIC3 Q9UHC3 1/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 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
2-(Phenoxymethyl)Benzothiazole SCHEMBL2245843 0.87 NPC1 (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL4638323 0.84 NPC1 (0.71) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL8136532 0.82 NPC1 (0.73) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
2-(Phenoxymethyl)Benzothiazole SCHEMBL8666960 0.82 NPC1 (0.83) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL1711724 0.82 NPC1 (0.77) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL6964094 0.81 NPC1 (0.71) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7543356 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL27452057 0.81 NPC1 (0.81) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7544263 0.80 NPC1 (0.63) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7544788 0.79 NPC1 (0.68) 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 4 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
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