SCHEMBL7544923

SCHEMBL7544923

CC(C)(O)c1nc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.64
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TNF P01375 1/20 0.47
NOD1 Q9Y239 1/20 0.47
DDAH1 O94760 1/20 0.46
ADRA2A P08913 1/20 0.46
FBP1 P09467 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
DRD2 P14416 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
MC5R P33032 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL108180 0.84 CASR (0.58) CASRALDH1A1LMNAL3MBTL1TNF
SCHEMBL227210 0.84 CASR (0.58) CASRALDH1A1LMNAL3MBTL1TNF
SCHEMBL30731332 0.82 CASR (0.57) CASRALDH1A1LMNAL3MBTL1TNF
SCHEMBL30731281 0.80 CASR (0.55) CASRDDAH1FBP1
SCHEMBL10573419 0.79 CASR (0.54) CASRALDH1A1LMNAL3MBTL1
SCHEMBL24496148 0.78 CASR (0.53) CASRALDH1A1L3MBTL1TNFNOD1
SCHEMBL12545796 0.78 CASR (0.53) CASRL3MBTL1TNFNOD1FBP1
SCHEMBL21706357 0.78 CASR (0.53) CASRTNFNOD1FBP1
SCHEMBL5720317 0.78 CASR (0.51) CASRALDH1A1L3MBTL1ADRA2AFBP1
SCHEMBL10573605 0.78 CASR (0.55) CASRALDH1A1LMNAL3MBTL1DDAH1

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-114605349-B Synthesis method of photocatalytic alkyl substituted benzothiazole derivative 浙江工业大学 2024-01-30 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