SCHEMBL7965371

SCHEMBL7965371

CCCOc1ccc(Cl)cc1-c1nc(N)c(N=O)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.52
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
CASP6 P55212 1/20 0.44
PDE6D O43924 2/20 0.43
PDE6A P16499 2/20 0.43
PDE6G P18545 2/20 0.43
PDE6B P35913 2/20 0.43
PDE6C P51160 2/20 0.43
PDE6H Q13956 2/20 0.43
GCGR P47871 1/20 0.41
PDE2A O00408 1/20 0.41
USP2 O75604 1/20 0.41
PDE9A O76083 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41

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) PDE5AKDM4EMEN1MAPTKMT2A
SCHEMBL7959312 0.86 PDE5A (0.51) PDE5AKDM4EMEN1MAPTKMT2A
SCHEMBL7962891 0.84 PDE5A (0.57) PDE5AKDM4EMEN1MAPTKMT2A
Sulfuric Acid SCHEMBL7959517 0.82 PDE5A (0.51) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7950444 0.82 KDM4E (0.45) PDE5AKDM4EMEN1MAPTKMT2A
SCHEMBL7960704 0.80 PDE5A (0.44) PDE5AKDM4EMEN1MAPTKMT2A
SCHEMBL7965295 0.73 PDE5A (0.55) PDE5AKDM4EMEN1MAPTKMT2A
SCHEMBL13819678 0.73 PDE5A (0.49) PDE5ACYP1A2
SCHEMBL22264907 0.72 KDM4E (0.46) PDE5AKDM4EMEN1MAPTKMT2A
SCHEMBL29362917 0.72 KDM4E (0.46) PDE5AKDM4EMEN1MAPTKMT2A

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-0352960-B1 Purine compounds, process for their preparation and pharmaceutical compositions SMITH KLINE FRENCH LAB (GB) 1994-10-26 EP disclosed
US-5073559-A 2-Substituted purinone having phosphodiesterase inhibitory activity SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-12-17 US disclosed
EP-0352960-A2 Purine compounds, process for their preparation and pharmaceutical compositions SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-31 EP disclosed