SCHEMBL3358808

SCHEMBL3358808

C=CCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(S(=O)(=O)O)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.55
PTGS1 P23219 5/20 0.55
MALT1 Q9UDY8 3/20 0.48
PTPN11 Q06124 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RCE1 Q9Y256 1/20 0.40
CHRNA7 P36544 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
SCHEMBL4245404 0.90 PTGS2 (0.55) PTGS2PTGS1MALT1CA1CA2
SCHEMBL3355973 0.87 PTGS2 (0.60) PTGS2PTGS1MALT1PTPN11L3MBTL1
SCHEMBL4243872 0.78 PTGS2 (0.61) PTGS2PTGS1MALT1
SCHEMBL4247517 0.77 PTGS2 (0.51) PTGS2PTGS1CA1CA2CA4
SCHEMBL3355812 0.77 PTGS2 (0.52) PTGS2PTGS1CA1CA2CA4
SCHEMBL4245103 0.77 PTGS2 (0.60) PTGS2PTGS1CA1CA2CA4
SCHEMBL3353074 0.76 PTGS2 (0.58) PTGS2PTGS1MALT1CA1CA2
SCHEMBL3355654 0.76 PTGS2 (0.77) PTGS2PTGS1MALT1L3MBTL1CA1
SCHEMBL4245198 0.75 PTGS2 (0.57) PTGS2PTGS1MALT1CA1CA2
SCHEMBL4026247 0.75 PTGS1 (0.76) PTGS2PTGS1MALT1L3MBTL1ALDH1A1

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