SCHEMBL5790956

SCHEMBL5790956

CON(C)C(=O)Oc1c(Cc2cn(C(C)=O)c3ccccc23)sc2c1c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 20/20 0.46
CYP2C9 P11712 7/20 0.44
CYP3A4 P08684 5/20 0.44
ABCB11 O95342 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
CAMK2B Q13554 1/20 0.44
HIPK4 Q8NE63 1/20 0.44
SLC16A7 O60669 1/20 0.41

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
SCHEMBL4803892 0.89 SLC16A1 (0.56) SLC16A1CYP2C9CYP3A4ABCB11MAPKAPK2
SCHEMBL5789937 0.83 SLC16A1 (0.60) SLC16A1CYP2C9CYP3A4ABCB11MAPKAPK2
SCHEMBL5791636 0.83 SLC16A1 (0.63) SLC16A1CYP2C9CYP3A4ABCB11MAPKAPK2
SCHEMBL5788605 0.83 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4ABCB11MAPKAPK2
SCHEMBL4804029 0.82 SLC16A1 (0.53) SLC16A1CYP2C9CYP3A4MAPKAPK2CAMK2B
SCHEMBL5788474 0.81 SLC16A1 (0.51) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL5790001 0.81 SLC16A1 (0.70) SLC16A1CYP2C9CYP3A4
SCHEMBL5791405 0.80 SLC16A1 (0.45) SLC16A1CYP2C9CYP3A4ABCB11MAPKAPK2
SCHEMBL5790155 0.79 SLC16A1 (0.44) SLC16A1CYP2C9CYP3A4ABCB11MAPKAPK2
SCHEMBL5786573 0.79 SLC16A1 (0.62) SLC16A1CYP2C9CYP3A4ABCB11MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412362-B1 THIENO¬2,3-d|PYRIMIDINEDIONES AS INHIBITORS OF T-CELLS PROLIFERATION ASTRAZENECA AB (SE) 2006-08-02 EP claimed