SCHEMBL6601415

SCHEMBL6601415

CS(=O)(=O)c1ccc(-c2cn[nH]c(=O)c2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.59
PTGS1 P23219 3/20 0.56
METAP2 P50579 1/20 0.51

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
SCHEMBL4185952 0.88 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL3867881 0.88 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8212288 0.85 AKT1 (0.53) METAP2
SCHEMBL4189225 0.85 PTGS2 (0.51) PTGS2PTGS1METAP2
SCHEMBL10981794 0.83 AKT1 (0.52) METAP2
SCHEMBL4181720 0.82 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7806743 0.78 PTGS2 (0.47) PTGS2PTGS1METAP2
SCHEMBL7519344 0.75 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6601976 0.74 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7566329 0.73 PTGS2 (0.66) 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 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