SCHEMBL9796243

SCHEMBL9796243

CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C)cc2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
CA9 Q16790 3/20 0.62
CA12 O43570 2/20 0.62
CA3 P07451 2/20 0.62
CA4 P22748 2/20 0.62
CA6 P23280 2/20 0.62
CA5A P35218 2/20 0.62
CA7 P43166 2/20 0.62
CA13 Q8N1Q1 2/20 0.62
CA14 Q9ULX7 2/20 0.62
CA5B Q9Y2D0 2/20 0.62
KMT2A Q03164 9/20 0.56
MEN1 O00255 8/20 0.56
THRB P10828 3/20 0.56
CA11 O75493 1/20 0.56
BLM P54132 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 8/20 0.55

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
SCHEMBL17239924 0.87 KMT2A (0.69) CA1CA2CA9CA12CA3
SCHEMBL11836252 0.78 CA1 (0.50) CA1CA2CA9CA12CA3
SCHEMBL11836261 0.78 CA1 (0.50) CA1CA2CA9CA12CA3
SCHEMBL13711989 0.77 MAPT (0.63) CA1CA2CA4CA7KMT2A
SCHEMBL10797173 0.77 CA1 (1.00) CA1CA2CA9CA12CA3
SCHEMBL11930741 0.77 CA1 (0.76) CA1CA2CA9CA12CA3
SCHEMBL9796337 0.77 CA1 (0.82) CA1CA2CA9CA12CA3
SCHEMBL18100211 0.74 CA1 (0.72) CA1CA2CA9CA12CA3
SCHEMBL11929008 0.74 CA1 (0.69) CA1CA2CA9CA12CA3
SCHEMBL13711902 0.74 CA1 (0.69) CA1CA2CA9CA12CA3

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
US-4990523-A Treatment of chronic inflammatory joint disease with arylsulfonamides A. H. ROBINS COMPANY, INCORPORATED (US) 1991-02-05 US disclosed
WO-1990015600-A2 TREATMENT OF CHRONIC INFLAMMATORY JOINT DISEASE WITH ARYLSULFONAMIDES A.H. ROBINS COMPANY, INCORPORATED (US) 1990-12-27 WO disclosed