SCHEMBL16612593

SCHEMBL16612593

Cn1c(-c2cccc(F)c2)c2c(=O)n(-c3ccccc3Cl)[nH]c2cc1=O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 20/20 0.77
CYBB P04839 5/20 0.77
NOX1 Q9Y5S8 5/20 0.77
NOX5 Q96PH1 4/20 0.77
CYP3A4 P08684 1/20 0.50

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
SCHEMBL16612805 0.90 NOX4 (0.72) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL16612522 0.88 NOX4 (0.75) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL16612222 0.87 NOX4 (0.74) NOX4CYBBNOX1NOX5CYP3A4
Setanaxib SCHEMBL1302603 0.87 NOX4 (1.00) NOX4CYBBNOX1NOX5CYP3A4
Setanaxib SCHEMBL29362127 0.87 NOX4 (1.00) NOX4CYBBNOX1NOX5CYP3A4
Setanaxib SCHEMBL29375704 0.87 NOX4 (1.00) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL16612701 0.86 NOX4 (0.59) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL14931735 0.86 NOX4 (0.72) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL29523003 0.86 NOX4 (0.72) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL1302943 0.85 NOX4 (0.72) 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 4 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
EP-2857399-A1 Compounds useful for the treatment of PDE5 inhibitor-poorly responsive erectile dysfunction GenKyoTex SA (CH) 2015-04-08 EP disclosed