SCHEMBL2575413

SCHEMBL2575413

CCC(=O)c1ccc(C(=O)NCCc2cccn2C)cc1-c1nc(CC)c(CC)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 16/20 0.41
▸ HDAC1 Q13547 1/20 0.37
▸ PDE6C P51160 2/20 0.36
▸ PDE11A Q9HCR9 2/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL2564998 0.68 PDE5A (0.56) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2565794 0.67 PDE5A (0.63) PDE5AHDAC1PDE6CPDE11APDE1A
SCHEMBL2562327 0.67 PDE5A (0.70) PDE5APDE6CPDE11A
SCHEMBL16188189 0.66 PDE5A (0.62) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198870 0.66 PDE5A (0.67) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2565050 0.66 PDE5A (0.61) PDE5AHDAC1PDE6CPDE11APDE1A
SCHEMBL2563968 0.66 PDE5A (0.60) PDE5AHDAC1PDE6CPDE11APDE1A
SCHEMBL2569199 0.66 PDE5A (0.62) PDE5AHDAC1PDE6CPDE11APDE1A
SCHEMBL16198840 0.65 PDE5A (0.59) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL17888957 0.65 PDE5A (0.64) PDE5AHDAC1PDE6CPDE11APDE1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383262-A1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF Topharman Shanghai Co., Ltd. (CN) 2011-11-02 — — EP claimed
EP-2383262-B1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF TOPHARMAN SHANGHAI CO LTD (CN) 2016-07-06 — — EP disclosed
EP-2383262-A1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF Topharman Shanghai Co., Ltd. (CN) 2011-11-02 — — EP disclosed
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