SCHEMBL19257144

SCHEMBL19257144

O=c1c2c3n(c(=O)cc2[nH]n1-c1ccccc1Cl)CCCN(Cc1cc[nH]n1)C3

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 20/20 0.76
▸ NOX5 Q96PH1 20/20 0.76
▸ NOX4 Q9NPH5 20/20 0.76
▸ NOX1 Q9Y5S8 20/20 0.76

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
SCHEMBL1459191 0.86 CYBB (1.00) CYBBNOX5NOX4NOX1
SCHEMBL31291710 0.86 CYBB (1.00) CYBBNOX5NOX4NOX1
SCHEMBL1566689 0.86 CYBB (1.00) CYBBNOX5NOX4NOX1
SCHEMBL1566481 0.85 CYBB (1.00) CYBBNOX5NOX4NOX1
SCHEMBL1566290 0.84 CYBB (0.74) CYBBNOX5NOX4NOX1
SCHEMBL1565877 0.84 CYBB (1.00) CYBBNOX5NOX4NOX1
SCHEMBL1566438 0.82 CYBB (1.00) CYBBNOX5NOX4NOX1
SCHEMBL1566376 0.82 CYBB (1.00) CYBBNOX5NOX4NOX1
SCHEMBL1566482 0.81 CYBB (1.00) CYBBNOX5NOX4NOX1
SCHEMBL1565930 0.81 CYBB (1.00) CYBBNOX5NOX4NOX1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483271-B1 PYRAZOLINE DIONE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-08-16 — — EP disclosed
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