SCHEMBL6603340

SCHEMBL6603340

CS(=O)(=O)c1cccc(-c2cnn(Cc3ccccn3)c(=O)c2-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.60
PTGS1 P23219 9/20 0.60
PIP4K2C Q8TBX8 1/20 0.44
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL6600833 0.90 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6601380 0.86 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL4191705 0.83 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6601825 0.83 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6601030 0.82 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6600842 0.82 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL6600014 0.82 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6606371 0.81 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6602267 0.81 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL6601033 0.80 PTGS2 (0.80) 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