SCHEMBL18942399

SCHEMBL18942399

COc1ccccc1-n1[nH]c2cc(=O)n(Cc3cccnc3)c(-c3cc(O)ccc3F)c2c1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 18/20 0.50
▸ CYBB P04839 10/20 0.50
▸ NOX1 Q9Y5S8 9/20 0.44
▸ NOX5 Q96PH1 8/20 0.44
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL14931671 0.91 NOX4 (0.51) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL29523089 0.91 NOX4 (0.51) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL29523126 0.91 NOX4 (0.51) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL14931684 0.91 NOX4 (0.51) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL14931723 0.88 NOX4 (0.51) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL29523385 0.88 NOX4 (0.51) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL14931691 0.87 NOX4 (0.51) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL29523256 0.87 NOX4 (0.51) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL14931562 0.82 NOX4 (0.72) NOX4CYBBNOX1NOX5CYP3A4
SCHEMBL29523172 0.82 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 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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