SCHEMBL2565233

SCHEMBL2565233

CCOc1ccccc1-c1nc(-c2ccccc2)c(Br)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.62
PDE5A O76074 15/20 0.61
KDM4E B2RXH2 1/20 0.52
PDE1A P54750 4/20 0.51
PDE1B Q01064 4/20 0.51
PDE1C Q14123 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
PDE10A Q9Y233 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 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
SCHEMBL29732712 0.81 MEN1 (0.70) GUSBPDE5AKDM4EMEN1KMT2A
SCHEMBL4196255 0.81 MEN1 (0.70) GUSBPDE5AKDM4EMEN1KMT2A
SCHEMBL2559792 0.81 GUSB (0.59) GUSBPDE5AKDM4EPDE1APDE1B
SCHEMBL16198803 0.79 PDE5A (0.71) PDE5A
SCHEMBL2568411 0.77 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE10A
SCHEMBL31238756 0.77 GUSB (1.00) GUSBPDE5AKDM4EPDE1APDE1B
SCHEMBL7160589 0.77 GUSB (1.00) GUSBPDE5AKDM4EPDE1APDE1B
SCHEMBL2567731 0.77 PDE5A (0.61) GUSBPDE5AKDM4EPDE1APDE1B
SCHEMBL8677237 0.77 XDH (0.68) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL2564559 0.75 GUSB (0.58) GUSBPDE5AKDM4EPDE1APDE1B

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 6 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-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
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