SCHEMBL2844654

SCHEMBL2844654

CC(=O)On1c(C)c2c(=O)n(-c3cc(Cl)ccc3Cl)[nH]c2cc1=O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 20/20 0.50
CYBB P04839 3/20 0.42
NOX1 Q9Y5S8 3/20 0.42
CYP3A4 P08684 1/20 0.42
NOX5 Q96PH1 2/20 0.38

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
SCHEMBL1723239 0.87 NOX4 (0.38) NOX4CYBBNOX1CYP3A4
SCHEMBL1301985 0.78 NOX4 (0.50) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL2846433 0.78 NOX4 (0.56) NOX4CYBBNOX1CYP3A4
SCHEMBL1723241 0.78 NOX4 (0.53) NOX4CYBBNOX1CYP3A4
SCHEMBL1302005 0.76 NOX4 (0.56) NOX4CYBBNOX1CYP3A4
SCHEMBL1302490 0.72 NOX4 (0.55) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL1302126 0.69 NOX4 (0.60) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL1303017 0.67 NOX4 (1.00) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL1302427 0.66 NOX4 (0.58) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL2218101 0.65 NOX4 (0.81) NOX4CYBBNOX1NOX5

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-2166010-A1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYO TEX SA (CH) 2010-03-24 EP claimed
WO-2010035221-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2010-04-01 WO disclosed