SCHEMBL19956784

SCHEMBL19956784

Cn1[nH]c2cc(=O)n(Cc3cccc(N4CCCOCC4)n3)c(-c3ccc(Cl)cc3)c2c1=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 6/20 0.57
▸ KLKB1 P03952 1/20 0.41
▸ KLK1 P06870 1/20 0.41
▸ PDE10A Q9Y233 7/20 0.40
▸ GRM2 Q14416 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1302281 0.97 NOX4 (0.60) NOX4KLKB1KLK1PDE10AGRM2
SCHEMBL1302880 0.92 NOX4 (0.50) NOX4PDE10A
SCHEMBL1302459 0.78 NOX4 (0.43) NOX4KDM4EUSP2ALDH1A1CYP1A2
SCHEMBL1302694 0.78 MEN1 (0.44) NOX4KDM4EUSP2ALDH1A1TSHR
SCHEMBL1302224 0.77 NOX4 (0.45) NOX4KDM4EALDH1A1HSD17B10
SCHEMBL2217002 0.75 NOX4 (0.56) NOX4KLKB1KLK1PIK3CDPIK3CB
SCHEMBL1302839 0.75 NOX4 (0.78) NOX4KLKB1KLK1
SCHEMBL2212598 0.74 NOX4 (0.73) NOX4KDM4EALDH1A1CASP1CASP7
SCHEMBL1302859 0.74 PDE4B (0.48) NOX4KDM4EALDH1A1HSD17B10
SCHEMBL16638872 0.74 NOX4 (0.44) NOX4PDE10A

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
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