SCHEMBL5377112

SCHEMBL5377112

Cc1ccc2c(-c3ccc(S(N)(=O)=O)cc3)c(-c3ccccc3)nn2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.54
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53
CSNK1E P49674 1/20 0.53
MAPK14 Q16539 1/20 0.53
PTGS2 P35354 13/20 0.52
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
MT-CO2 P00403 1/20 0.52
LMNA P02545 1/20 0.52
CA3 P07451 1/20 0.52
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
ADRA2B P18089 1/20 0.52
CA4 P22748 1/20 0.52

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
SCHEMBL5369160 0.89 PTGS1 (0.68) PTGS1CSNK1A1CSNK1DCSNK1EMAPK14
SCHEMBL5377634 0.87 PTGS2 (0.53) PTGS1CSNK1A1CSNK1DCSNK1EMAPK14
SCHEMBL6592574 0.85 MAPK14 (0.53) PTGS1MAPK14PTGS2CA12CA1
SCHEMBL6606861 0.85 PTGS2 (0.47) PTGS1PTGS2CA12CA1CA2
SCHEMBL5368778 0.84 PTGS2 (0.67) PTGS1CSNK1A1CSNK1DCSNK1EMAPK14
SCHEMBL5365383 0.82 MAPK14 (0.57) PTGS1MAPK14PTGS2CA12CA1
SCHEMBL5375485 0.82 PTGS2 (0.55) PTGS1CSNK1A1CSNK1DCSNK1EMAPK14
SCHEMBL5365336 0.81 MAPK14 (0.56) PTGS1CSNK1A1CSNK1DCSNK1EMAPK14
SCHEMBL5371166 0.76 PTGS2 (0.66) PTGS1CSNK1A1CSNK1DCSNK1EMAPK14
SCHEMBL6594280 0.75 PTGS1 (0.57) PTGS1CSNK1A1CSNK1DCSNK1EMAPK14

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