SCHEMBL8897124

SCHEMBL8897124

O=[N+]([O-])c1cc(S(=O)(=O)F)ccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 18/20 0.69
ALDH1A1 P00352 1/20 0.59
NPBWR1 P48145 1/20 0.58
MCHR1 Q99705 1/20 0.58

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
SCHEMBL809482 0.85 VCAM1 (0.73) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL10452716 0.85 VCAM1 (0.73) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL29780388 0.85 VCAM1 (0.73) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL376610 0.83 VCAM1 (0.71) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL9323485 0.83 VCAM1 (0.71) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL30430066 0.83 VCAM1 (0.71) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL332971 0.81 VCAM1 (0.69) VCAM1ALDH1A1NPBWR1MCHR1
Potassium Ion SCHEMBL9585856 0.81 VCAM1 (0.69) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL3294854 0.81 VCAM1 (0.69) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL1097803 0.81 VCAM1 (0.69) VCAM1ALDH1A1NPBWR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622137-A FOR USE IN TESTING COOKED FOODS TRANS WORLD SERVICES (US) 1997-04-22 US disclosed