SCHEMBL2567458

SCHEMBL2567458

CCCOc1ccc(S(=O)(=O)NCCC2CNCCO2)cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.68
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

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
SCHEMBL2567781 0.96 PDE5A (0.67) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2566212 0.85 PDE5A (0.68) PDE5APDE6C
SCHEMBL2567776 0.82 PDE5A (0.69) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2565446 0.81 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2567460 0.81 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2568504 0.80 PDE5A (0.66) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2567778 0.80 PDE5A (0.92) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2564842 0.73 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2576880 0.72 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2568303 0.71 PDE5A (0.69) 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
EP-2383262-A1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF Topharman Shanghai Co., Ltd. (CN) 2011-11-02 EP disclosed