SCHEMBL3358779

SCHEMBL3358779

CCCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(S)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.64
PTGS2 P35354 4/20 0.64
MALT1 Q9UDY8 11/20 0.54
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4032188 0.94 PTGS1 (0.72) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL3358782 0.86 PTGS2 (0.86) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL4026247 0.83 PTGS1 (0.76) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL4245198 0.83 PTGS2 (0.57) PTGS1PTGS2MALT1
SCHEMBL4031131 0.80 PTGS2 (0.81) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL1193845 0.79 PTGS2 (1.00) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6684493 0.78 PTGS1 (0.60) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6683372 0.78 PTGS1 (0.69) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6680320 0.77 PTGS1 (0.58) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL3358370 0.77 PTGS2 (0.61) PTGS1PTGS2MALT1L3MBTL1

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