SCHEMBL16612296

SCHEMBL16612296

COCCn1c(-c2ccc(Cl)cc2)c2c(=O)n(-c3ccccc3Cl)[nH]c2cc1=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 20/20 0.55
CYBB P04839 5/20 0.52
NOX1 Q9Y5S8 5/20 0.52
NOX5 Q96PH1 4/20 0.52
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C8 P10632 1/20 0.45

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
SCHEMBL16612634 0.92 NOX4 (0.58) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL16612317 0.90 NOX4 (0.58) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL16612701 0.87 NOX4 (0.59) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL1301676 0.87 NOX4 (0.56) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL1303051 0.84 NOX4 (0.66) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL1302943 0.84 NOX4 (0.72) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL2218357 0.83 NOX4 (0.42) NOX4CYP3A4CYP2C9CYP2C19
SCHEMBL2217664 0.82 NOX4 (0.51) NOX4CYP3A4CYP2C9CYP2C19
SCHEMBL29523001 0.80 NOX4 (0.63) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL14931608 0.80 NOX4 (0.63) NOX4CYBBNOX1NOX5CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015049655-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF PDE5 INHIBITOR-POORLY RESPONSIVE ERECTILE DYSFUNCTION GENKYOTEX SA (CH) 2015-04-09 WO claimed
EP-2857399-A1 Compounds useful for the treatment of PDE5 inhibitor-poorly responsive erectile dysfunction GenKyoTex SA (CH) 2015-04-08 EP claimed
EP-2857399-A1 Compounds useful for the treatment of PDE5 inhibitor-poorly responsive erectile dysfunction GenKyoTex SA (CH) 2015-04-08 EP disclosed