SCHEMBL2649004

SCHEMBL2649004

Cc1ccc(NC(=O)Nc2ncc(COc3ccc(CCC(=O)OC(=O)CCc4ccc(SCc5cnc(NC(=O)Nc6ccc(C)cc6N6CCCCC6)s5)cc4)cc3)s2)c(N2CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
CSF1R P07333 2/20 0.35
MAPK14 Q16539 3/20 0.35
MAPK13 O15264 2/20 0.35
MAPT P10636 6/20 0.34
SIRT2 Q8IXJ6 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL2649001 0.94 FFAR1 (0.38) POLBCSF1RMAPK14MAPK13
SCHEMBL1343698 0.88 POLB (0.38) POLBCSF1RMAPK14MAPK13MAPT
SCHEMBL1343911 0.87 FFAR1 (0.42) POLBCSF1RMAPK14MAPK13MAPT
SCHEMBL2662425 0.83 SIRT2 (0.36) MAPK14MAPK13MAPTSIRT2LMNA
SCHEMBL1343996 0.83 POLB (0.39) POLBCSF1RMAPK14MAPTSIRT2
SCHEMBL1342314 0.82 POLB (0.42) POLBCSF1RMAPK14MAPK13MAPT
SCHEMBL1342117 0.82 SMN1; SMN2 (0.45) POLBMAPTLMNATP53MEN1
SCHEMBL1342664 0.81 POLB (0.41) POLBMAPK14MAPK13MAPTTP53
SCHEMBL1341813 0.81 POLB (0.43) POLBMAPTLMNATP53MEN1
SCHEMBL1343098 0.81 POLB (0.44) POLBMAPK14MAPK13MAPTTP53

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