SCHEMBL2649384

SCHEMBL2649384

Cc1ccc(NC(=O)Nc2ncc(CS(=O)(=O)c3nccn3C)s2)c(N2CCCCC2)c1.Cc1ccc(NC(=O)Nc2ncc(CS(=O)(=O)c3nncn3C)s2)c(N2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
PRNP P04156 1/20 0.33
MAPK13 O15264 2/20 0.33
MAPK14 Q16539 3/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32

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
SCHEMBL1342686 0.95 POLB (0.41) POLBTP53MAPTPRNPMAPK13
SCHEMBL1343306 0.94 MAPT (0.40) POLBTP53MAPTPRNPMAPK13
SCHEMBL1343246 0.87 MAPT (0.39) POLBTP53MAPTPRNPMAPK13
SCHEMBL1342885 0.83 POLB (0.41) POLBTP53MAPTPRNPMAPK13
SCHEMBL1343196 0.81 MAPT (0.41) POLBTP53MAPTPRNPMAPK13
SCHEMBL4471012 0.80 POLB (0.42) POLBTP53MAPTMAPK13MAPK14
SCHEMBL1342605 0.80 POLB (0.41) POLBTP53MAPTPRNPMAPK13
SCHEMBL1343240 0.80 MAPT (0.40) POLBTP53MAPTPRNPGAA
SCHEMBL1340316 0.79 MAPT (0.40) POLBTP53MAPTPRNPMAPK14
SCHEMBL1342092 0.79 POLB (0.39) POLBTP53MAPTPRNPMAPK13

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed