SCHEMBL9865807

SCHEMBL9865807

CN(CCCCl)S(=O)(=O)c1cccc(OS(C)(=O)=O)n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.34
HTR7 P34969 2/20 0.33
NFE2L2 Q16236 2/20 0.32

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
SCHEMBL9867797 0.85 MEN1 (0.33) HTR7
SCHEMBL9867957 0.82 MEN1 (0.33) HTR7NFE2L2
SCHEMBL9866979 0.81 KAT8 (0.38)
SCHEMBL9866531 0.79 POLB (0.36) HTR7NFE2L2
SCHEMBL10374044 0.79 SMN1; SMN2 (0.36)
SCHEMBL9869258 0.78 NFE2L2 (0.33) NFE2L2
SCHEMBL9866719 0.76 L3MBTL1 (0.38)
SCHEMBL9865651 0.75 HCAR1 (0.33) NFE2L2
SCHEMBL9866727 0.75 NFE2L2 (0.34) NFE2L2
SCHEMBL10373802 0.75 ALDH1A1 (0.41)

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-4987141-A DERIVATIVES OF BENZENE OR PYRIDINE HAVING SULFONATE AND SULFENYL, SULFONIMIDE OR SULFONAMIDE GROUPS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-22 US disclosed