SCHEMBL7007940

SCHEMBL7007940

CC(C)Cn1c(=O)n(C)c(=O)c2c(Br)c(C(=O)c3nc4ccccc4n3C)sc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 15/20 0.49
CYP2C9 P11712 9/20 0.49
CYP3A4 P08684 6/20 0.49
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC16A7 O60669 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
CAMK2B Q13554 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7008682 0.86 SLC16A1 (0.50) SLC16A1CYP2C9CYP3A4ALDH1A1MEN1
SCHEMBL6637503 0.80 SLC16A1 (0.55) SLC16A1CYP2C9CYP3A4ALDH1A1MEN1
SCHEMBL7005645 0.80 SLC16A1 (0.47) SLC16A1CYP2C9CYP3A4ALDH1A1MEN1
SCHEMBL7007181 0.77 SLC16A1 (0.40) SLC16A1CYP2C9CYP3A4ALDH1A1SLC16A7
SCHEMBL6637125 0.77 SLC16A1 (0.55) SLC16A1CYP2C9CYP3A4
SCHEMBL6639761 0.76 SLC16A1 (0.41) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL6640885 0.73 SLC16A1 (0.37) SLC16A1CYP2C9CYP3A4ALDH1A1SLC16A7
SCHEMBL6640212 0.72 SLC16A1 (0.44) SLC16A1CYP2C9CYP3A4MAPKAPK2CAMK2B
SCHEMBL3833844 0.71 SLC16A1 (0.62) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL3834003 0.71 SLC16A1 (0.62) SLC16A1CYP2C9CYP3A4ALDH1A1SLC16A7

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