SCHEMBL6603408

SCHEMBL6603408

CC(c1ccccc1)n1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.68
PTGS1 P23219 13/20 0.68

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
SCHEMBL4191576 0.95 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL6604190 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5847861 0.87 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL4190043 0.86 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6601509 0.83 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL15305627 0.83 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6716212 0.82 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL4194064 0.82 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL4189974 0.82 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL4191548 0.80 PTGS2 (0.86) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975604-B1 PYRIDAZINONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 2004-07-21 EP claimed
US-6004960-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION MERCK FROSST CANADA, INC. (CA) 1999-12-21 US claimed
EP-0975604-B1 PYRIDAZINONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 2004-07-21 EP disclosed
US-6004960-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION MERCK FROSST CANADA, INC. (CA) 1999-12-21 US disclosed