SCHEMBL14401896

SCHEMBL14401896

O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(Cl)c(S(=O)(=O)Cl)c2)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 18/20 0.59
▸ NPBWR1 P48145 1/20 0.51
▸ MCHR1 Q99705 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.49

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 0.88 VCAM1 (0.73) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL809482 0.88 VCAM1 (0.73) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL10452716 0.88 VCAM1 (0.73) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL30430066 0.83 VCAM1 (0.71) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL376610 0.83 VCAM1 (0.71) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL12639368 0.82 VCAM1 (0.65) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL11047958 0.82 VCAM1 (0.65) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL4001670 0.81 VCAM1 (0.64) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL10719874 0.81 VCAM1 (0.63) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL11042282 0.80 VCAM1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288599-B2 Oligomers and polymers containing sulfinate groups, and method for producing the same KERRES JOCHEN 2007-10-30 — — US disclosed
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