SCHEMBL7965341

SCHEMBL7965341

CC(C)COc1ccccc1-c1nc(N)c(N)c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.55
PDE4A P27815 2/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GUSB P08236 1/20 0.48
TLR8 Q9NR97 1/20 0.44
PDE1A P54750 2/20 0.44
PDE1B Q01064 2/20 0.44
PDE1C Q14123 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PDE2A O00408 1/20 0.44
PDE6D O43924 1/20 0.44
USP2 O75604 1/20 0.44

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
Sulfuric Acid SCHEMBL7950944 0.94 PDE5A (0.50) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7029661 0.84 PDE5A (0.62) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7959294 0.82 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7959688 0.81 FGFR1 (0.60) PDE5AMEN1ALDH1A1MAPTHPGD
Sulfuric Acid SCHEMBL7959122 0.81 GUSB (0.58) PDE5AMEN1ALDH1A1MAPTHPGD
SCHEMBL7959395 0.80 MEN1 (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7951339 0.79 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
Sulfuric Acid SCHEMBL7718120 0.79 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
Sulfuric Acid SCHEMBL7960505 0.78 PDE5A (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL2564939 0.78 GUSB (0.60) PDE5AMEN1ALDH1A1HPGDKMT2A

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-0293063-B1 2-PHENYLPURINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS WELL AS INTERMEDIATES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-18 EP disclosed
US-4885301-A Purinone derivatives which have bronchodilator, vasodilator and anti-allergic activities SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-05 US disclosed
EP-0293063-A1 2-Phenylpurinone derivatives, processes for their preparation, and their use as well as intermediates SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-11-30 EP disclosed