SCHEMBL5791514

SCHEMBL5791514

CCN(OC)C(=O)Oc1c(Cn2c(C)nc(Cl)c2Cl)sc2c1c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 19/20 0.68
CYP2C9 P11712 9/20 0.68
CYP3A4 P08684 4/20 0.68
ABCB11 O95342 1/20 0.68
SLC16A3 O15427 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
CAMK2B Q13554 1/20 0.33
HIPK4 Q8NE63 1/20 0.33

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
SCHEMBL5792468 0.93 SLC16A1 (0.67) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL5789534 0.90 SLC16A1 (0.78) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL4804199 0.88 SLC16A1 (0.82) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL5790513 0.85 SLC16A1 (0.67) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL5786758 0.83 SLC16A1 (0.66) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL5786963 0.83 SLC16A1 (0.64) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL4805792 0.82 SLC16A1 (0.79) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL4797059 0.81 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL5787985 0.81 SLC16A1 (0.64) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3829809 0.81 SLC16A1 (0.78) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3

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