SCHEMBL6823501

SCHEMBL6823501

CSc1ccccc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.47
CA2 P00918 8/20 0.46
CA1 P00915 7/20 0.46
CA9 Q16790 7/20 0.46
CA12 O43570 4/20 0.46
CA14 Q9ULX7 2/20 0.46
CA6 P23280 3/20 0.44
CA5A P35218 3/20 0.44
CA4 P22748 2/20 0.44
CA7 P43166 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
CYP2C9 P11712 1/20 0.44
MAP2K7 O14733 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
STAT3 P40763 1/20 0.39

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
SCHEMBL2226182 0.84 CA2 (0.56) PTGES2CA2CA1CA9CA12
SCHEMBL9492408 0.82 CA2 (0.55) PTGES2CA2CA1CA9CA12
SCHEMBL1080972 0.82 CA2 (0.61) CA2CA1CA9CA12CA14
SCHEMBL8347239 0.80 CA2 (0.58) CA2CA1CA9CA12CA14
SCHEMBL31087243 0.77 KDM4E (0.52) MAP2K7CDC25ACDC25BALDH1A1SMN1; SMN2
SCHEMBL5890646 0.77 KDM4E (0.52) MAP2K7CDC25ACDC25BALDH1A1SMN1; SMN2
SCHEMBL6820364 0.76 CA2 (0.50) CA2CA1CA9CA12CA14
SCHEMBL9819445 0.76 CA2 (0.47) PTGES2CA2CA1CA9CA12
SCHEMBL5491594 0.75 PTGES2 (0.48) PTGES2CA2CA1CA9CA12
SCHEMBL1116406 0.75 CA2 (0.56) CA2CA1CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO claimed
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed