SCHEMBL19956760

SCHEMBL19956760

CCOCNc1cccc(-n2[nH]c3cc(=O)n(CCCO)c(-c4cccc(Cl)c4)c3c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 8/20 0.46
TRPC5 Q9UL62 9/20 0.41
MEN1 O00255 3/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 3/20 0.36
KMT2A Q03164 3/20 0.36
CYBB P04839 1/20 0.35
NOX5 Q96PH1 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
LMNA P02545 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOD2 Q9HC29 1/20 0.34

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
SCHEMBL1302848 0.86 NOX4 (0.55) NOX4TRPC5MEN1GAAMAPT
SCHEMBL1302632 0.85 NOX4 (0.58) NOX4TRPC5MEN1GAAMAPT
SCHEMBL1302585 0.78 NOX4 (0.70) NOX4TRPC5MEN1GAAMAPT
SCHEMBL1303470 0.75 NOX4 (0.63) NOX4CYBBNOX1
SCHEMBL1302503 0.74 NOX4 (0.40) NOX4TRPC5GAAMAPTCYBB
SCHEMBL19956745 0.71 NOX4 (0.52) NOX4MEN1MAPTKMT2ACYBB
SCHEMBL1302562 0.70 NOX4 (0.67) NOX4MEN1MAPTKMT2ACYBB
SCHEMBL2219788 0.68 NOX4 (0.48) NOX4MAPTCYBBNOX5NOX1
SCHEMBL1302796 0.68 NOX4 (0.46) NOX4MEN1KMT2ACYBBNOX5
SCHEMBL19956827 0.68 PGR (0.48) NOX4MEN1GAAMAPTHTT

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-2860179-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-03-14 EP disclosed