SCHEMBL17906566

SCHEMBL17906566

CCc1nc(-c2cc(S(=O)(=O)NCC(=O)O)ccc2OC2CCCCC2)[nH]c(=O)c1CC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.61
▸ PDE6C P51160 1/20 0.46
▸ PDE11A Q9HCR9 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ APEX1 P27695 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42

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
SCHEMBL2579639 0.84 PDE5A (0.84) PDE5APDE6CPDE11A
SCHEMBL2565444 0.71 PDE5A (0.73) PDE5APDE6CPDE11A
SCHEMBL17906564 0.70 PDE5A (0.72) PDE5APDE6CPDE11A
SCHEMBL16199262 0.70 PDE5A (0.73) PDE5APDE6CPDE11A
SCHEMBL17888956 0.70 PDE5A (0.78) PDE5APDE6CPDE11A
SCHEMBL2567295 0.70 PDE5A (0.77) PDE5APDE6CPDE11A
SCHEMBL2562779 0.69 PDE5A (0.71) PDE5APDE6CPDE11A
SCHEMBL16188275 0.69 PDE5A (0.69) PDE5APDE6CPDE11A
SCHEMBL2567665 0.69 PDE5A (0.71) PDE5APDE6CPDE11A
SCHEMBL16199266 0.69 PDE5A (1.00) PDE5APDE6CPDE11A

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-2383262-B1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF TOPHARMAN SHANGHAI CO LTD (CN) 2016-07-06 — — EP disclosed
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