SCHEMBL7010765

SCHEMBL7010765

CC(C)Cn1c(=O)n(C)c(=O)c2cc(Cc3cccs3)sc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 7/20 0.38
TSHR P16473 2/20 0.38
PDE1A P54750 4/20 0.37
PDE1B Q01064 4/20 0.37
PDE1C Q14123 4/20 0.37
PDE2A O00408 3/20 0.37
CYP2C9 P11712 2/20 0.37
MAPKAPK2 P49137 1/20 0.37
CAMK2B Q13554 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5864669 0.84 PDE1B (0.47) SLC16A1TSHRPDE1APDE1BPDE1C
SCHEMBL7007286 0.83 PDE1B (0.38) SLC16A1TSHRPDE1APDE1BPDE1C
SCHEMBL7011267 0.82 PDE1B (0.39) SLC16A1TSHRPDE1APDE1BPDE1C
SCHEMBL5865214 0.81 ALDH1A1 (0.45) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864895 0.80 PDE3B (0.47) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL8162346 0.80 SLC16A1 (0.44) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7007349 0.80 PDE1A (0.38) SLC16A1TSHRPDE1APDE1BPDE1C
SCHEMBL7006637 0.80 PDE1A (0.40) SLC16A1TSHRPDE1APDE1BPDE1C
SCHEMBL5864838 0.80 ALDH1A1 (0.41) SLC16A1TSHRPDE1APDE1BPDE1C
SCHEMBL7014557 0.79 PDE1A (0.42) SLC16A1TSHRPDE1APDE1BPDE1C

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
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-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