SCHEMBL9323485

SCHEMBL9323485

[O]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 18/20 0.71
NPBWR1 P48145 1/20 0.59
MCHR1 Q99705 1/20 0.59
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL29780388 0.86 VCAM1 (0.73) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL10452716 0.86 VCAM1 (0.73) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL809482 0.86 VCAM1 (0.73) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL376610 0.85 VCAM1 (0.71) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL30430066 0.85 VCAM1 (0.71) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL1184879 0.83 VCAM1 (1.00) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL1097803 0.83 VCAM1 (0.69) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL332971 0.83 VCAM1 (0.69) VCAM1NPBWR1MCHR1ALDH1A1
Potassium Ion SCHEMBL9585856 0.83 VCAM1 (0.69) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL176738 0.83 VCAM1 (0.69) VCAM1NPBWR1MCHR1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605310-B Synthesis method of aza five-membered ring and three-membered ring carboxylic ester derivative and salt thereof 都创(上海)医药科技股份有限公司 2024-05-07 CN claimed
EP-0240366-B1 Perhydrothiazepine and perhydroazepine derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1994-01-26 EP disclosed
EP-0220865-B1 LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HYPOTENSIVE AGENTS SANKYO COMPANY LIMITED (JP) 1992-07-29 EP disclosed
US-4778790-A HYPOTENSIVE AGENTS SANKYO COMPANY LIMITED (JP) 1988-10-18 US disclosed
US-4734410-A Lactam derivatives and their use as hypotensive agents SANKYO COMPANY LIMITED (JP) 1988-03-29 US disclosed
EP-0240366-A2 Perhydrothiazepine and perhydroazepine derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1987-10-07 EP disclosed
EP-0220865-A2 Lactam derivatives, their preparation and their use as hypotensive agents SANKYO COMPANY LIMITED (JP) 1987-05-06 EP disclosed