SCHEMBL6356759

SCHEMBL6356759

COC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1COc1ccccc1-2

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.64
▸ PTGS1 P23219 5/20 0.64
▸ MAPT P10636 2/20 0.49
▸ IKBKB O14920 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CCNA1 P78396 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CA9 Q16790 3/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ POLB P06746 2/20 0.42

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
SCHEMBL5253371 0.89 PTGS1 (0.68) PTGS2PTGS1IKBKBCCNA2CDK2
SCHEMBL5256651 0.89 PTGS2 (0.68) PTGS2PTGS1IKBKBCCNA2CDK2
SCHEMBL8471667 0.80 PTGS2 (0.66) PTGS2PTGS1IKBKBCCNA2CDK2
SCHEMBL6279437 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL9832871 0.76 PTGS1 (0.49) PTGS2PTGS1MAPTCCNA2CDK2
SCHEMBL6352140 0.74 RAD52 (0.56) PTGS2PTGS1IKBKBCCNA2CDK2
SCHEMBL9833010 0.74 PTGS1 (0.47) PTGS2PTGS1MAPTCCNA2CDK2
SCHEMBL6649029 0.73 PTGS1 (0.48) PTGS2PTGS1MAPTIKBKBCCNA2
Hydrochloric Acid SCHEMBL6800512 0.73 PTGS2 (0.51) PTGS2PTGS1IKBKBCCNA2CDK2
SCHEMBL9834202 0.73 PIK3CD (0.45) PTGS2PTGS1MAPTCCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050100594-A1 Pharmaceutical formulation containing muscle relaxant and COX-II inhibitor GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-12 — — US disclosed
US-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 — — US disclosed
US-5670532-A Pyrazolyl derivatives for the treatment of inflammation G. D. SEARLE & CO. (US) 1997-09-23 — — US disclosed
US-5565482-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS G.D. SEARLE & CO. (US) 1996-10-15 — — US disclosed
US-5547975-A ANTIARTHRIC AGENTS, ANALGESICS AND ANTIPYRETICS; INHIBITORS OF CYCLOOXYGENASE II; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 1996-08-20 — — US disclosed
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