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Sugi Predict / Compounds / SCHEMBL7055102

SCHEMBL7055102

SCHEMBL7055102

COc1ccc(-c2cc(C(F)F)nn2-c2ccccc2S(N)(=O)=O)cc1.NS(=O)(=O)c1ccccc1-n1nc(C(F)F)cc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.64
▸ PTGS1 P23219 11/20 0.64
▸ ABCB11 O95342 1/20 0.48
▸ ALDH1A1 P00352 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
SCHEMBL8625458 0.98 PTGS2 (0.67) PTGS2PTGS1ABCB11ALDH1A1
Benzenesulfonamide SCHEMBL7641687 0.95 PTGS2 (0.70) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8637047 0.90 PTGS2 (0.63) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL7928751 0.90 PTGS2 (0.66) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8165901 0.88 PTGS2 (0.62) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL7926014 0.86 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8525009 0.86 PTGS2 (0.65) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8688532 0.85 PTGS2 (0.57) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8692480 0.84 PTGS2 (0.50) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8635925 0.84 PTGS2 (0.58) PTGS2PTGS1ABCB11ALDH1A1

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
EP-1443967-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION Novartis AG (CH) 2004-08-11 — — EP disclosed
WO-2003039599-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION NOVARTIS AG (CH) 2003-05-15 — — WO disclosed
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