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Sugi Predict / Compounds / SCHEMBL8023493

SCHEMBL8023493

SCHEMBL8023493

COc1ccc(-c2cc(-c3ccccc3)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.70
▸ PTGS1 P23219 1/20 0.56
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ CYP2C9 P11712 1/20 0.53

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
SCHEMBL15070223 0.91 PTGS2 (0.69) PTGS2PTGS1CA1CA2CA9
SCHEMBL8035002 0.91 PTGS2 (0.73) PTGS2CA1CA2CA9CYP2C9
SCHEMBL8023566 0.91 PTGS2 (0.66) PTGS2PTGS1CA1CA2CA9
SCHEMBL8033171 0.89 PTGS2 (0.66) PTGS2PTGS1CA1CA2CA9
SCHEMBL8033346 0.87 PTGS2 (0.56) PTGS2PTGS1CYP2C9
SCHEMBL8035264 0.86 PTGS2 (0.65) PTGS2PTGS1CA1CA2CA9
SCHEMBL8032930 0.86 PTGS2 (0.75) PTGS2CA1CA2CA9
SCHEMBL8032782 0.85 PTGS2 (0.60) PTGS2CA1CA2CA9CYP2C9
SCHEMBL8023934 0.84 PTGS2 (0.73) PTGS2CA1CA2CA9
SCHEMBL8033030 0.83 PTGS2 (0.72) PTGS2CA1CA2CA9

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-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 — — WO claimed
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 — — WO disclosed
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