SCHEMBL8925232

SCHEMBL8925232

CCOC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(C(C)=O)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.68
CHRNA7 P36544 4/20 0.66
PTGS2 P35354 6/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
NR1H2 P55055 1/20 0.50
PTGS1 P23219 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
AOC3 Q16853 1/20 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
SCHEMBL8922996 0.92 CA9 (0.68) CA9CHRNA7PTGS2SMN1; SMN2NR1H2
SCHEMBL9204895 0.90 CA9 (0.82) CA9CHRNA7PTGS2SMN1; SMN2NR1H2
SCHEMBL9199282 0.88 CA9 (0.72) CA9CHRNA7PTGS2SMN1; SMN2NR1H2
SCHEMBL6511261 0.88 CA9 (0.69) CA9CHRNA7PTGS2SMN1; SMN2HDAC3
SCHEMBL7627415 0.88 CHRNA7 (0.83) CA9CHRNA7PTGS2PTGS1AOC3
SCHEMBL9210036 0.88 CA9 (0.75) CA9CHRNA7PTGS2NR1H2
SCHEMBL9941326 0.88 CA9 (0.82) CA9CHRNA7PTGS2NR1H2PTGS1
SCHEMBL9199925 0.88 CA9 (0.68) CA9CHRNA7PTGS2PTGS1
SCHEMBL9202722 0.87 CA9 (0.67) CA9CHRNA7PTGS2SMN1; SMN2NR1H2
SCHEMBL9206406 0.87 CA9 (0.67) CA9CHRNA7PTGS2SMN1; SMN2NR1H2

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