SCHEMBL2564559

SCHEMBL2564559

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.53
GSK3B P49841 1/20 0.52
PDE5A O76074 7/20 0.52
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PAK4 O96013 1/20 0.47
RET P07949 1/20 0.47
PRKX P51817 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
POLB P06746 1/20 0.47
XDH P47989 2/20 0.47
PDE10A Q9Y233 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
SCHEMBL2559812 0.80 GUSB (0.55) GUSBALDH1A1PDE5AKDM4EUSP2
SCHEMBL2566798 0.78 GUSB (0.51) GUSBALDH1A1PDE5AKDM4EUSP2
SCHEMBL16198788 0.78 GUSB (0.53) GUSBALDH1A1PDE5AKDM4EUSP2
SCHEMBL7937930 0.76 PDE5A (0.55) GUSBSMN1; SMN2ALDH1A1PDE5AKDM4E
SCHEMBL4822785 0.75 GSK3B (0.84) SMN1; SMN2ALDH1A1GSK3BKDM4EHPGD
SCHEMBL2565233 0.75 GUSB (0.62) GUSBALDH1A1PDE5AKDM4EHPGD
SCHEMBL4196255 0.75 MEN1 (0.70) GUSBPDE5AKDM4EPOLB
SCHEMBL29732712 0.75 MEN1 (0.70) GUSBPDE5AKDM4EPOLB
SCHEMBL7160589 0.74 GUSB (1.00) GUSBPDE5AKDM4EHPGDPDE1A
SCHEMBL31238756 0.74 GUSB (1.00) GUSBPDE5AKDM4EHPGDPDE1A

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-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
EP-2383262-A1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF Topharman Shanghai Co., Ltd. (CN) 2011-11-02 EP disclosed