SCHEMBL2649986

SCHEMBL2649986

Cc1ccc(NC(=O)Nc2ncc(CC(=O)NCC(=O)ON(C(=O)Cc3cnc(NC(=O)Nc4ccc(C)cc4C(=O)C4CCCC4)s3)S(C)(=O)=O)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.37
MAPK13 O15264 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
IDH2 P48735 1/20 0.32
MAPT P10636 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
SCHEMBL1343047 0.85 MAPK14 (0.38) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL2649982 0.84 MAPK14 (0.35) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1343750 0.84 SMN1; SMN2 (0.37) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1340887 0.82 SMN1; SMN2 (0.41) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1343232 0.80 CNR1 (0.42) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1341694 0.79 SMN1; SMN2 (0.40) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1344039 0.79 SMN1; SMN2 (0.38) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL4470766 0.78 SMN1; SMN2 (0.40) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1339818 0.78 SMN1; SMN2 (0.40) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1340876 0.78 MAPK14 (0.38) MAPK14MAPK13SMN1; SMN2NPC1RAB9A

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