SCHEMBL17210874

SCHEMBL17210874

CN(CC1=CC=CCC1Cl)Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1Cc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 20/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2C8 P10632 1/20 0.57
▸ CYBB P04839 8/20 0.51
▸ NOX1 Q9Y5S8 7/20 0.51
▸ NOX5 Q96PH1 6/20 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
SCHEMBL2214424 0.85 NOX4 (0.65) NOX4CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL2217504 0.83 NOX4 (0.62) NOX4CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL2216211 0.82 NOX4 (0.61) NOX4CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL12441697 0.81 NOX4 (0.84) NOX4CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL2217794 0.81 NOX4 (0.60) NOX4CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL3609614 0.80 NOX4 (0.63) NOX4CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL2218410 0.78 NOX4 (0.85) NOX4CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL2218801 0.78 NOX4 (0.60) NOX4CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL14931743 0.76 NOX4 (0.75) NOX4CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL29522756 0.76 NOX4 (0.75) NOX4CYP2C9CYP2C19CYP3A4CYP2C8

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-2674160-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-10-28 — — EP disclosed
Send feedback