SCHEMBL18942605

SCHEMBL18942605

CCc1ccccc1-n1[nH]c2cc(=O)n(Cc3cnccn3)c(-c3ccc(O)cc3)c2c1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 20/20 0.54
▸ CYBB P04839 6/20 0.47
▸ NOX1 Q9Y5S8 5/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NOX5 Q96PH1 4/20 0.37

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
SCHEMBL14931769 0.82 NOX4 (0.67) NOX4CYBBNOX1CYP3A4CYP2C8
SCHEMBL29523167 0.82 NOX4 (0.67) NOX4CYBBNOX1CYP3A4CYP2C8
SCHEMBL29523426 0.80 NOX4 (0.64) NOX4CYBBNOX1CYP3A4CYP2C8
SCHEMBL29522947 0.80 NOX4 (0.56) NOX4CYBBNOX1CYP3A4CYP2C8
SCHEMBL14931779 0.71 NOX4 (0.49) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL29523189 0.71 NOX4 (0.49) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL2214423 0.71 NOX4 (0.79) NOX4CYBBNOX1CYP3A4CYP2C8
SCHEMBL2215660 0.70 NOX4 (1.00) NOX4CYBBNOX1CYP3A4CYP2C8
SCHEMBL2217907 0.69 NOX4 (0.72) NOX4CYBBNOX1CYP3A4CYP2C8
SCHEMBL2219705 0.69 NOX4 (0.91) NOX4CYBBNOX1CYP3A4CYP2C8

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-2776027-B1 NADPH OXIDASE 4 INHIBITORS AND USE THEREOF GENKYOTEX SUISSE SA (CH) 2017-06-07 — — EP disclosed
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