SCHEMBL2648838

SCHEMBL2648838

Cc1ccc(NC(=O)Nc2ncc(CCCC(=O)O)s2)c(C(=O)C2CCCC2)c1.Cc1ccc(NC(=O)Nc2ncc(CCc3ncno3)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.37
MAPK13 O15264 6/20 0.37
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1341597 0.94 MAPK14 (0.41) MAPK14MAPK13NPC1RAB9ASMN1; SMN2
SCHEMBL1341599 0.91 MAPK14 (0.40) MAPK14MAPK13NPC1RAB9ASMN1; SMN2
SCHEMBL1342802 0.87 SMN1; SMN2 (0.42) MAPK14MAPK13NPC1RAB9ASMN1; SMN2
SCHEMBL2648841 0.87 MAPK14 (0.34) MAPK14MAPK13
SCHEMBL1343232 0.81 CNR1 (0.42) MAPK14MAPK13NPC1RAB9ASMN1; SMN2
SCHEMBL1343218 0.80 MAPK14 (0.40) MAPK14MAPK13NPC1RAB9ASMN1; SMN2
SCHEMBL1342980 0.80 MAPK14 (0.39) MAPK14MAPK13NPC1RAB9ASMN1; SMN2
SCHEMBL4470766 0.79 SMN1; SMN2 (0.40) MAPK14MAPK13NPC1RAB9ASMN1; SMN2
SCHEMBL1342702 0.79 MAPK14 (0.40) MAPK14MAPK13NPC1RAB9ASMN1; SMN2
SCHEMBL6696998 0.79 MAPK14 (0.40) MAPK14MAPK13NPC1RAB9ASMN1; SMN2

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