SCHEMBL7007349

SCHEMBL7007349

CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(O)c3cccs3)sc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 4/20 0.38
PDE1B Q01064 4/20 0.38
PDE1C Q14123 4/20 0.38
PDE2A O00408 3/20 0.38
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SLC16A1 P53985 8/20 0.36
CYP2C9 P11712 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
CAMK2B Q13554 1/20 0.36
HIPK4 Q8NE63 1/20 0.36
SHMT2 P34897 1/20 0.36
PARG Q86W56 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5865248 0.84 PDE1A (0.41) PDE1APDE1BPDE1CPDE2AHSD17B10
SCHEMBL7004534 0.83 PDE1A (0.41) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL7006740 0.83 PDE1A (0.38) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL7009336 0.82 PDE1A (0.38) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL5864909 0.82 SMN1; SMN2 (0.39) PDE1APDE1BPDE1CPDE2AHSD17B10
SCHEMBL5864833 0.81 SLC16A1 (0.39) PDE1APDE1BPDE1CPDE2AHSD17B10
SCHEMBL7008995 0.81 PDE1A (0.41) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL5864724 0.80 LMNA (0.42) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL5865154 0.80 SLC16A1 (0.40) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7006816 0.80 SLC16A1 (0.42) PDE1APDE1BPDE1CPDE2AALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP claimed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US claimed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP claimed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO claimed
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP disclosed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed