SCHEMBL7005447

SCHEMBL7005447

CC(C)Cn1c(=O)n(C)c(=O)c2c(SC(C)C)c(CCl)sc21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 19/20 0.61
CYP2C9 P11712 4/20 0.45
MAPKAPK2 P49137 1/20 0.45
CAMK2B Q13554 1/20 0.45
HIPK4 Q8NE63 1/20 0.45
ABCB11 O95342 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7005376 0.88 SLC16A1 (0.61) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7010760 0.81 SLC16A1 (0.53) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL6726116 0.80 SLC16A1 (0.49) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7012735 0.77 SLC16A1 (0.62) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7005458 0.77 SLC16A1 (0.60) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7004749 0.76 SLC16A1 (0.63) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7007944 0.76 SLC16A1 (0.58) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7008659 0.75 SLC16A1 (0.57) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7855180 0.73 SLC16A1 (0.56) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7005454 0.73 SLC16A1 (0.65) SLC16A1CYP2C9CYP3A4

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 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