SCHEMBL6600833

SCHEMBL6600833

CS(=O)(=O)c1ccc(-c2cnn(Cc3ccccn3)c(=O)c2-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.74
PTGS1 P23219 11/20 0.74

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
SCHEMBL4191705 0.93 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6603340 0.90 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6601374 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6601027 0.81 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL6600013 0.81 PTGS2 (0.85) PTGS2PTGS1
SCHEMBL6600837 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL4190505 0.81 PTGS2 (0.89) PTGS2PTGS1
SCHEMBL6601823 0.81 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6602260 0.80 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL7517445 0.80 PTGS2 (0.55) 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 6 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
EP-0975604-A1 PYRIDAZINONES AS INHIBITORS OF CYCLOOXYGENASE-2 Merck Frosst Canada & Co. (CA) 2000-02-02 EP disclosed
US-6004960-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION MERCK FROSST CANADA, INC. (CA) 1999-12-21 US disclosed
WO-1998041511-A1 PYRIDAZINONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 1998-09-24 WO disclosed