SCHEMBL16188257

SCHEMBL16188257

CCCCCCOc1ccccc1-c1nc(C(C)C)c(Br)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.61
PDE6D O43924 3/20 0.57
PDE6A P16499 3/20 0.57
PDE6G P18545 3/20 0.57
PDE6B P35913 3/20 0.57
PDE6C P51160 3/20 0.57
PDE6H Q13956 3/20 0.57
PDE4A P27815 3/20 0.53
PDE4B Q07343 3/20 0.53
PDE4C Q08493 3/20 0.53
PDE4D Q08499 3/20 0.53
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
PDE2A O00408 1/20 0.49
USP2 O75604 1/20 0.49
PDE9A O76083 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL2566057 0.96 PDE5A (0.60) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2562540 0.92 PDE5A (0.66) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2559792 0.88 GUSB (0.59) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2564934 0.80 PDE5A (0.59) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16198812 0.78 PDE5A (0.72) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16188249 0.78 PDE5A (0.55) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2562266 0.77 PDE5A (0.69) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2567731 0.77 PDE5A (0.61) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2568836 0.77 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16188246 0.76 PDE5A (0.67) PDE5APDE6DPDE6APDE6GPDE6B

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 2 patents. 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
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 US disclosed