SCHEMBL7009988

SCHEMBL7009988

CC(C)Cn1c(=O)n(C)c(=O)c2c(SCCCO)c(C(O)c3cccnc3)sc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 20/20 0.55
CYP2C9 P11712 6/20 0.55
MAPKAPK2 P49137 1/20 0.55
CAMK2B Q13554 1/20 0.55
HIPK4 Q8NE63 1/20 0.55
CYP3A4 P08684 3/20 0.37
SLC16A7 O60669 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
SCHEMBL7007918 0.88 SLC16A1 (0.49) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7011900 0.83 SLC16A1 (0.40) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7008011 0.82 SLC16A1 (0.67) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7009668 0.81 SLC16A1 (0.55) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864650 0.81 SLC16A1 (0.70) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7009074 0.76 TSHR (0.39) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864666 0.71 SLC16A1 (0.69) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864939 0.71 SLC16A1 (1.00) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7007887 0.71 SLC16A1 (0.49) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7008546 0.70 SLC16A1 (0.49) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4

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 6 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
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