SCHEMBL3829554

SCHEMBL3829554

CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)O)c(Cc3cccc4ncccc34)sc21

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 20/20 0.74
CYP2C9 P11712 11/20 0.74
CYP3A4 P08684 8/20 0.74
SLC16A7 O60669 1/20 0.65
MAPKAPK2 P49137 1/20 0.53
CAMK2B Q13554 1/20 0.53
HIPK4 Q8NE63 1/20 0.53

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
SCHEMBL3826712 0.99 SLC16A1 (0.73) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL3826720 0.99 SLC16A1 (0.73) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL3826715 0.91 SLC16A1 (0.72) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL4845192 0.89 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL5864670 0.87 SLC16A1 (0.67) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL3828116 0.85 SLC16A1 (0.62) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL3833017 0.85 SLC16A1 (0.75) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL4847425 0.85 SLC16A1 (0.75) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL3829937 0.85 SLC16A1 (0.75) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL5094503 0.85 SLC16A1 (0.61) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414825-B9 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2009-09-16 EP disclosed
EP-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP disclosed