SCHEMBL9866531

SCHEMBL9866531

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
NFE2L2 Q16236 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
HCAR1 Q9BXC0 2/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HTR7 P34969 1/20 0.31
TNF P01375 1/20 0.31
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL9865651 0.86 HCAR1 (0.33) NFE2L2ALDH1A1HCAR1
SCHEMBL9866727 0.86 NFE2L2 (0.34) NFE2L2HCAR1
SCHEMBL9867957 0.84 MEN1 (0.33) NFE2L2ALDH1A1SMN1; SMN2HTTHCAR1
SCHEMBL9867762 0.84 ALDH1A1 (0.37) NFE2L2ALDH1A1LMNASMN1; SMN2HCAR1
SCHEMBL10373802 0.83 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2HTTNPC1
SCHEMBL9867797 0.82 MEN1 (0.33) HTR7
SCHEMBL9866719 0.80 L3MBTL1 (0.38) POLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL9869258 0.80 NFE2L2 (0.33) NFE2L2
SCHEMBL9865854 0.80 HCAR1 (0.39) LMNASMN1; SMN2HCAR1
SCHEMBL9865677 0.79 HCAR1 (0.36) NFE2L2HCAR1

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