SCHEMBL7962891

SCHEMBL7962891

CCCOc1ccccc1-c1nc(N)c(N=O)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.57
KDM4E B2RXH2 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
PDE2A O00408 1/20 0.57
PDE6D O43924 1/20 0.57
USP2 O75604 1/20 0.57
PDE9A O76083 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
PDE6A P16499 1/20 0.57
PDE6G P18545 1/20 0.57
PDE4A P27815 1/20 0.57
PDE6B P35913 1/20 0.57
PDE6C P51160 1/20 0.57
PDE1A P54750 1/20 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
SCHEMBL7950714 0.87 PDE5A (0.52) PDE5AKDM4EKMT2AMEN1MAPT
SCHEMBL7029661 0.85 PDE5A (0.62) PDE5AKDM4EKMT2AMEN1MAPT
SCHEMBL7950444 0.85 KDM4E (0.45) PDE5AKDM4EKMT2AMEN1MAPT
SCHEMBL7965371 0.84 PDE5A (0.52) PDE5AKDM4EKMT2AMEN1MAPT
SCHEMBL7965285 0.84 KDM4E (0.57) PDE5AKDM4EKMT2AMEN1MAPT
SCHEMBL7960704 0.84 PDE5A (0.44) PDE5AKDM4EKMT2AMEN1MAPT
SCHEMBL7959312 0.84 PDE5A (0.51) PDE5AKDM4EKMT2AMEN1MAPT
SCHEMBL7958810 0.83 KDM4E (0.53) PDE5AKDM4EKMT2AMEN1MAPT
Sulfuric Acid SCHEMBL7718120 0.81 PDE5A (0.56) PDE5AKDM4EKMT2AMEN1MAPT
SCHEMBL7959294 0.80 PDE5A (0.56) PDE5AKDM4EKMT2AMEN1MAPT

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
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0349239-B1 Condensed pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE FRENCH LAB (GB) 1994-03-16 EP disclosed
US-5075310-A PYRIMIDONE DERIVATIVES AS BRONCHODILATORS SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-12-24 US disclosed
EP-0349239-A2 Condensed pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-03 EP disclosed