SCHEMBL5790563

SCHEMBL5790563

CON(C)C(=O)Oc1c(Cn2c(=O)sc3ccccc32)sc2c1c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 18/20 0.48
CYP2C9 P11712 7/20 0.48
CYP3A4 P08684 4/20 0.48
ABCB11 O95342 1/20 0.48
THRB P10828 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
SCHEMBL5788474 0.90 SLC16A1 (0.51) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL4798358 0.88 SLC16A1 (0.63) SLC16A1CYP2C9CYP3A4ABCB11THRB
SCHEMBL5788817 0.85 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL5788605 0.83 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL5788548 0.82 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4ABCB11SMN1; SMN2
SCHEMBL3833122 0.82 SLC16A1 (0.53) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL4803574 0.81 SLC16A1 (0.54) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL5790001 0.80 SLC16A1 (0.70) SLC16A1CYP2C9CYP3A4
SCHEMBL5790956 0.79 SLC16A1 (0.46) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL5786758 0.78 SLC16A1 (0.66) SLC16A1CYP2C9CYP3A4ABCB11

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