SCHEMBL5263359

SCHEMBL5263359

CCCCn1c(=O)n(C)c(=O)c2c(C(=O)N3CC(O)CO3)c(Cc3ccnc4ccccc34)sc21

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 19/20 0.82
CYP2C9 P11712 13/20 0.82
CYP3A4 P08684 9/20 0.82
SLC16A7 O60669 1/20 0.61
SLC16A3 O15427 1/20 0.51

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
SCHEMBL5263356 1.00 SLC16A1 (0.82) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3826257 0.96 SLC16A1 (0.84) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3826254 0.96 SLC16A1 (0.84) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3826398 0.90 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3826394 0.90 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3827013 0.90 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3831986 0.87 SLC16A1 (0.81) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3831983 0.87 SLC16A1 (0.81) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3826943 0.85 SLC16A1 (0.90) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3826941 0.85 SLC16A1 (0.90) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3

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-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP claimed