SCHEMBL8925672

SCHEMBL8925672

CNC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(C#N)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 5/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CA9 Q16790 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PTGS2 P35354 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
RPA1 P27694 1/20 0.51
AOC3 Q16853 1/20 0.49
KDM1A O60341 7/20 0.48

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
SCHEMBL9201687 0.86 MALT1 (0.63) MALT1NFKB1NFKB2RELAMEN1
SCHEMBL9209545 0.86 AOC3 (0.66) MALT1NFKB1NFKB2RELAMEN1
SCHEMBL8925772 0.84 MALT1 (0.61) MALT1NFKB1NFKB2RELAMEN1
SCHEMBL3865450 0.82 PTGS2 (0.58) CA9CA1CA2PTGS2HDAC3
SCHEMBL8421963 0.81 PTGS2 (0.64) CA9CA1CA2PTGS2
SCHEMBL7459996 0.81 PTGS2 (0.62) CA9CA1CA2PTGS2
SCHEMBL9202590 0.81 MALT1 (0.56) MALT1NFKB1NFKB2RELAMEN1
SCHEMBL9202586 0.81 MALT1 (0.56) MALT1NFKB1NFKB2RELAMEN1
SCHEMBL7466476 0.78 PTGS2 (0.74) CA9CA1CA2PTGS2HDAC3
SCHEMBL3865581 0.77 PTGS2 (0.78) CA9CA1CA2PTGS2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
US-5550147-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTITHROMBOTIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0554829-A2 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed