SCHEMBL3827008

SCHEMBL3827008

Cc1n[nH]c(C)c1Cc1sc2c(c1CN1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 19/20 0.72
CYP2C9 P11712 16/20 0.72
CYP3A4 P08684 10/20 0.72
SLC16A3 O15427 1/20 0.72
SLC16A7 O60669 1/20 0.37
ABCB11 O95342 1/20 0.36

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
SCHEMBL3827011 1.00 SLC16A1 (0.72) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3826454 0.84 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL23958362 0.84 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3826451 0.84 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL19759433 0.79 SLC16A1 (0.63) SLC16A1CYP2C9CYP3A4SLC16A3ABCB11
SCHEMBL17942426 0.78 SLC16A1 (0.61) SLC16A1CYP2C9CYP3A4SLC16A3ABCB11
SCHEMBL26200805 0.77 SLC16A1 (0.85) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL5093451 0.77 SLC16A1 (0.64) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3827690 0.77 SLC16A1 (0.87) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3828111 0.77 SLC16A1 (0.70) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7

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