SCHEMBL9869258

SCHEMBL9869258

C#CCN(C)S(=O)(=O)c1cccc(OS(C)(=O)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL9867957 0.83 MEN1 (0.33) NFE2L2
SCHEMBL9867797 0.81 MEN1 (0.33)
SCHEMBL9866531 0.80 POLB (0.36) NFE2L2
SCHEMBL9865807 0.78 NAAA (0.34) NFE2L2
SCHEMBL10373802 0.76 ALDH1A1 (0.41)
SCHEMBL9865651 0.76 HCAR1 (0.33) NFE2L2
SCHEMBL9866727 0.76 NFE2L2 (0.34) NFE2L2
SCHEMBL9867762 0.75 ALDH1A1 (0.37) NFE2L2
SCHEMBL9866719 0.74 L3MBTL1 (0.38) CA12CA1CA2CA9
SCHEMBL9865854 0.71 HCAR1 (0.39) CA12CA1CA2CA9

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