SCHEMBL18942675

SCHEMBL18942675

CNc1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2Cc2ccn(C)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 20/20 0.61
▸ CYBB P04839 2/20 0.51
▸ NOX1 Q9Y5S8 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ NOX5 Q96PH1 1/20 0.51
▸ CYP2C8 P10632 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 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
SCHEMBL14931788 0.87 NOX4 (0.69) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL29523661 0.87 NOX4 (0.69) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL29523734 0.83 NOX4 (0.72) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL14931655 0.83 NOX4 (0.72) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL14931735 0.83 NOX4 (0.72) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL29523003 0.83 NOX4 (0.72) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL29523627 0.78 NOX4 (0.58) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL14931576 0.78 NOX4 (0.58) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL14931658 0.77 NOX4 (0.50) NOX4CYBBNOX1CYP3A4NOX5
SCHEMBL2218961 0.77 NOX4 (0.69) NOX4CYBBNOX1CYP3A4NOX5

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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