SCHEMBL5790740

SCHEMBL5790740

CON(C)C(=O)Oc1c(-n2c(SC)nc3ccccc32)sc2c1c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 15/20 0.42
CYP2C9 P11712 9/20 0.42
CYP3A4 P08684 7/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB11 O95342 1/20 0.42
MAPKAPK2 P49137 1/20 0.36
CAMK2B Q13554 1/20 0.36
HIPK4 Q8NE63 1/20 0.36
SLC16A7 O60669 1/20 0.35

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
SCHEMBL4796733 0.89 SLC16A1 (0.51) SLC16A1CYP2C9CYP3A4ALDH1A1MEN1
SCHEMBL4796688 0.79 SLC16A1 (0.62) SLC16A1CYP2C9CYP3A4ALDH1A1MEN1
SCHEMBL5788548 0.78 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4MEN1KMT2A
SCHEMBL5788474 0.77 SLC16A1 (0.51) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL5788605 0.75 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4ABCB11MAPKAPK2
SCHEMBL5787264 0.74 SLC16A1 (0.47) SLC16A1CYP2C9CYP3A4ABCB11MAPKAPK2
SCHEMBL5790563 0.74 SLC16A1 (0.48) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL5791636 0.74 SLC16A1 (0.63) SLC16A1CYP2C9CYP3A4ABCB11MAPKAPK2
SCHEMBL3833746 0.73 SLC16A1 (0.61) SLC16A1CYP2C9CYP3A4ALDH1A1MEN1
SCHEMBL5788817 0.73 SLC16A1 (0.49) 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