SCHEMBL2567731

SCHEMBL2567731

CCCCCCCCc1nc(-c2ccccc2OCC)[nH]c(=O)c1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.61
GUSB P08236 1/20 0.55
PDE1A P54750 7/20 0.53
PDE1B Q01064 7/20 0.53
PDE1C Q14123 7/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.47
PDE2A O00408 1/20 0.47
PDE6D O43924 1/20 0.47
USP2 O75604 1/20 0.47
PDE9A O76083 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE6A P16499 1/20 0.47
PDE6G P18545 1/20 0.47

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
SCHEMBL16198806 0.78 PDE5A (0.71) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL2566798 0.77 GUSB (0.51) PDE5AGUSBPDE1APDE1BPDE1C
SCHEMBL16188257 0.77 PDE5A (0.61) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL2559792 0.77 GUSB (0.59) PDE5AGUSBPDE1APDE1BPDE1C
SCHEMBL2565233 0.77 GUSB (0.62) PDE5AGUSBPDE1APDE1BPDE1C
SCHEMBL6340970 0.77 PDE5A (0.55) PDE5AGUSBPDE1APDE1BPDE1C
SCHEMBL2565734 0.76 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL2566057 0.74 PDE5A (0.60) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5901591 0.73 PDE5A (0.85) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5901813 0.73 PDE5A (0.85) PDE5APDE1APDE1BPDE1CMEN1

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 4 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
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 US disclosed
EP-2383262-A1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF Topharman Shanghai Co., Ltd. (CN) 2011-11-02 EP disclosed