SCHEMBL6595243

SCHEMBL6595243

NS(=O)(=O)c1ccc(-c2c(-c3cccc(F)c3)nn3cc(Cl)ccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.53
PTGS2 P35354 11/20 0.48
PTGS1 P23219 7/20 0.48
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PDPK1 O15530 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL6594699 0.88 MAPK14 (0.68) MAPK14PTGS2PTGS1CA1CA2
SCHEMBL5377634 0.87 PTGS2 (0.53) MAPK14PTGS2PTGS1PDPK1CA1
SCHEMBL6592574 0.87 MAPK14 (0.53) MAPK14PTGS2PTGS1CA1CA2
SCHEMBL5366953 0.85 MAPK14 (0.54) MAPK14PTGS2PTGS1PDPK1
SCHEMBL5373881 0.82 PTGS2 (0.52) MAPK14PTGS2PTGS1CA1CA2
SCHEMBL7841227 0.82 MAPK14 (0.60) MAPK14PTGS2PTGS1CA1CA2
SCHEMBL5371166 0.77 PTGS2 (0.66) MAPK14PTGS2PTGS1
SCHEMBL6591824 0.76 PTGS2 (0.63) MAPK14PTGS2PTGS1MAPTCA1
SCHEMBL5373901 0.75 PTGS2 (0.59) MAPK14PTGS2PTGS1
SCHEMBL6808976 0.75 CA12 (0.54) PTGS2PTGS1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157025-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2004-03-10 EP claimed
US-6498166-B1 POTENT AND SELECTIVE INHIBITORS OF CYCLOOXYGENASE-2; TREATING PAIN, FEVER AND INFLAMMATION SMITHKLINE BEECHAM CORPORATION 2002-12-24 US claimed
JP-2002538157-A 2002-11-12 JP claimed
EP-1157025-A1 PYRAZOLOPYRIDINES GLAXO GROUP LIMITED (GB) 2001-11-28 EP claimed
WO-2000052008-A1 PYRAZOLOPYRIDINES GLAXO GROUP LIMITED (GB) 2000-09-08 WO claimed
EP-1157025-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2004-03-10 EP disclosed
US-6498166-B1 POTENT AND SELECTIVE INHIBITORS OF CYCLOOXYGENASE-2; TREATING PAIN, FEVER AND INFLAMMATION SMITHKLINE BEECHAM CORPORATION 2002-12-24 US disclosed
EP-1157025-A1 PYRAZOLOPYRIDINES GLAXO GROUP LIMITED (GB) 2001-11-28 EP disclosed
WO-2000052008-A1 PYRAZOLOPYRIDINES GLAXO GROUP LIMITED (GB) 2000-09-08 WO disclosed