SCHEMBL2649982

SCHEMBL2649982

Cc1ccc(NC(=O)Nc2ncc(CC(=O)NCC(=O)O)s2)c(C(=O)C2CCCC2)c1.Cc1ccc(NC(=O)Nc2ncc(CC(=O)NS(C)(=O)=O)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.35
MAPK13 O15264 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
FBP1 P09467 2/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
OGA O60502 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
IDH2 P48735 1/20 0.31
ABCC1 P33527 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK5 Q00535 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL1343047 0.94 MAPK14 (0.38) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1343750 0.94 SMN1; SMN2 (0.37) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1343232 0.85 CNR1 (0.42) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL2649986 0.84 MAPK14 (0.37) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1340887 0.84 SMN1; SMN2 (0.41) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL6696998 0.83 MAPK14 (0.40) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1344039 0.82 SMN1; SMN2 (0.38) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1341694 0.81 SMN1; SMN2 (0.40) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1342322 0.81 MAPK14 (0.40) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1343709 0.81 LCK (0.42) MAPK14MAPK13SMN1; SMN2MAPTABCC1

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