SCHEMBL5597068

SCHEMBL5597068

CS(=O)(=O)c1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 6/20 0.75
▸ PTGS2 P35354 6/20 0.75
▸ MAPK14 Q16539 6/20 0.67
▸ MAPK11 Q15759 5/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ ALOX5 P09917 1/20 0.67
▸ CSNK1A1 P48729 1/20 0.67
▸ CSNK1D P48730 1/20 0.67
▸ CSNK1E P49674 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ CSNK1A1L Q8N752 1/20 0.67
▸ MAPK13 O15264 4/20 0.62
▸ MAPK12 P53778 4/20 0.62
▸ GCGR P47871 3/20 0.62
▸ RAF1 P04049 1/20 0.57
▸ TEK Q02763 1/20 0.56

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
SCHEMBL7088050 0.88 PTGS1 (0.66) PTGS1PTGS2MAPK14MAPK11ALDH1A1
SCHEMBL30874320 0.87 PTGS1 (0.74) PTGS1PTGS2MAPK14MAPK11ALDH1A1
SCHEMBL9748575 0.84 MAPK13 (0.83) MAPK14MAPK11CSNK1A1CSNK1DMAPK13
SCHEMBL7087754 0.84 PTGS2 (0.61) PTGS1PTGS2MAPK14MAPK11ALDH1A1
SCHEMBL8552621 0.82 PTGS2 (0.55) PTGS1PTGS2MAPK14MAPK11ALDH1A1
SCHEMBL7088524 0.81 PTGS1 (0.68) PTGS1PTGS2MAPK14MAPK11ALDH1A1
SCHEMBL8796825 0.81 PTGS2 (0.54) PTGS1PTGS2MAPK14MAPK11ALDH1A1
SCHEMBL7085579 0.81 PTGS2 (0.57) PTGS1PTGS2MAPK14MAPK11ALDH1A1
SCHEMBL7085580 0.81 PTGS2 (0.57) PTGS1PTGS2MAPK14MAPK11ALDH1A1
SCHEMBL9201148 0.80 MAPK14 (1.00) PTGS1PTGS2MAPK14MAPK11ALDH1A1

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
EP-1039914-A4 CYCLOOXYGENASE-2 INHIBITION CORNELL RES FOUNDATION INC (US) 2007-06-27 — — EP disclosed
EP-1039914-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 2000-10-04 — — EP disclosed
WO-1999030721-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 1999-06-24 — — WO disclosed
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