SCHEMBL18942781

SCHEMBL18942781

O=c1c2c(-c3ccc(O)cc3)n(Cc3cccnc3)c(=O)cc2[nH]n1-c1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 20/20 0.59
▸ CYBB P04839 9/20 0.59
▸ NOX1 Q9Y5S8 8/20 0.59
▸ NOX5 Q96PH1 7/20 0.59
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C8 P10632 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL14931738 0.93 NOX4 (0.61) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL29522956 0.93 NOX4 (0.61) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL14945120 0.91 NOX4 (0.59) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL14931692 0.85 NOX4 (0.60) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL29523135 0.85 NOX4 (0.60) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL29523460 0.84 NOX4 (0.66) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL14931607 0.84 NOX4 (0.66) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL14931743 0.84 NOX4 (0.75) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL29522756 0.84 NOX4 (0.75) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL14931623 0.84 NOX4 (0.62) 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 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
Send feedback