SCHEMBL3353074

SCHEMBL3353074

COc1nc(-c2ccc(Br)cc2)n(-c2ccc(S(=O)(=O)O)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.58
PTGS1 P23219 4/20 0.58
MALT1 Q9UDY8 1/20 0.48
ALOX5 P09917 1/20 0.45
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA9 Q16790 4/20 0.41
CA4 P22748 3/20 0.41
ADORA2A P29274 1/20 0.39
ADORA2B P29275 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
SCHEMBL4244581 0.88 PTGS2 (0.58) PTGS2PTGS1CA1CA2CA9
SCHEMBL3355973 0.79 PTGS2 (0.60) PTGS2PTGS1MALT1CA1CA2
SCHEMBL3355654 0.78 PTGS2 (0.77) PTGS2PTGS1MALT1CA1CA2
SCHEMBL4248349 0.77 PTGS2 (0.75) PTGS2PTGS1CA1CA2CA9
SCHEMBL3359022 0.76 PTGS2 (0.58) PTGS2PTGS1ALOX5CA1CA2
SCHEMBL3358808 0.76 PTGS2 (0.55) PTGS2PTGS1MALT1CA1CA2
SCHEMBL3359120 0.76 PTGS2 (0.58) PTGS2PTGS1CA1CA2CA9
SCHEMBL3358279 0.75 PTGS2 (0.60) PTGS2PTGS1CA1CA2CA4
SCHEMBL1193845 0.74 PTGS2 (1.00) PTGS2PTGS1MALT1
SCHEMBL5203365 0.73 PTGS2 (0.57) PTGS2PTGS1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4532283-B2 2010-08-25 JP claimed
EP-1565447-A4 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORP (KR) 2005-11-16 EP claimed
EP-1565447-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ Corporation (KR) 2005-08-24 EP claimed
WO-2004048347-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-10 WO claimed
EP-1565447-A4 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORP (KR) 2005-11-16 EP disclosed
EP-1565447-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ Corporation (KR) 2005-08-24 EP disclosed
WO-2004048347-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-10 WO disclosed