SCHEMBL5368804

SCHEMBL5368804

O=C(NS(=O)(=O)c1ccc(-c2c(-c3cccc(F)c3)nn3cc(C(F)(F)F)ccc23)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
BCL2L1 Q07817 6/20 0.47
MCL1 Q07820 6/20 0.47
KAT6A Q92794 2/20 0.41
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
SCN5A Q14524 1/20 0.40
PPARG P37231 2/20 0.40
ALKBH2 Q6NS38 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
ALKBH3 Q96Q83 1/20 0.39
FTO Q9C0B1 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
USP8 P40818 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
SCHEMBL6594766 0.92 MAPK14 (0.49) MAPK14BCL2L1MCL1PTGS2PTGS1
SCHEMBL5377150 0.90 MAPK14 (0.48) MAPK14PTGS2PTGS1PPARG
SCHEMBL5370333 0.87 MAPK14 (0.45) MAPK14BCL2L1MCL1PTGS2PTGS1
SCHEMBL5365209 0.87 MAPK14 (0.46) MAPK14PTGS2PTGS1PPARG
SCHEMBL5364997 0.87 MAPK14 (0.46) MAPK14BCL2L1MCL1PTGS2PTGS1
SCHEMBL5372589 0.87 MAPK14 (0.46) MAPK14BCL2L1MCL1PTGS2PTGS1
SCHEMBL5367411 0.85 MAPK14 (0.44) MAPK14BCL2L1MCL1PTGS2PTGS1
SCHEMBL5373578 0.84 MAPK14 (0.44) MAPK14PTGS2PTGS1PPARG
SCHEMBL5368788 0.84 MAPK14 (0.43) MAPK14BCL2L1MCL1PTGS2PTGS1
SCHEMBL5365258 0.84 MAPK14 (0.43) MAPK14BCL2L1MCL1PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223772-B1 Pyrazolopyridine derivatives as selective cox-2 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-05-29 US claimed
EP-1127058-B1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2004-09-01 EP claimed
EP-1127058-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2001-08-29 EP claimed
WO-2000026216-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2000-05-11 WO claimed
US-7223772-B1 Pyrazolopyridine derivatives as selective cox-2 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-05-29 US disclosed
EP-1127058-B1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2004-09-01 EP disclosed
EP-1127058-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2001-08-29 EP disclosed
WO-2000026216-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2000-05-11 WO disclosed