SCHEMBL27487533

SCHEMBL27487533

CS(=O)(=O)c1ccc(-c2cnn(C=Cc3ccccc3)c(=O)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.58
PTGS1 P23219 13/20 0.58

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
SCHEMBL27548052 0.87 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7527982 0.85 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL4196472 0.84 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL4196475 0.84 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7517145 0.83 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL27487532 0.81 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL4191548 0.80 PTGS2 (0.86) PTGS2PTGS1
SCHEMBL4186362 0.78 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL3863130 0.77 PTGS2 (0.87) PTGS2PTGS1
SCHEMBL6600013 0.77 PTGS2 (0.85) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1279026-C Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2006-10-11 CN disclosed
CN-1167687-C Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ���Ͽع����޹�˾ 2004-09-22 CN disclosed