SCHEMBL6649029

SCHEMBL6649029

NC(=O)c1nn(-c2ccc([S+](N)[O-])cc2)c2c1COc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ CCNA2 P20248 17/20 0.45
▸ CDK2 P24941 17/20 0.45
▸ CCNA1 P78396 17/20 0.45
▸ IKBKB O14920 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL5253371 0.84 PTGS1 (0.68) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL9832871 0.77 PTGS1 (0.49) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL5256651 0.76 PTGS2 (0.68) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL9833010 0.75 PTGS1 (0.47) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL14502642 0.75 CCNA2 (0.53) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL2548370 0.75 MAPT (0.62) CCNA2CDK2CCNA1MAPTPOLB
SCHEMBL6681492 0.74 CCNA2 (0.49) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL14532800 0.74 CCNA2 (0.52) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL6356759 0.73 PTGS2 (0.64) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL9831849 0.73 PTGS1 (0.42) PTGS1PTGS2CCNA2CDK2CCNA1

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
EP-1427706-A1 SUBSTITUTED PYRAZOLO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-06-16 — — EP claimed
WO-2003024936-A1 SUBSTITUTED PYRAZOLO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 — — WO claimed
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