SCHEMBL2651340

SCHEMBL2651340

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CCNC(C)=O)s1.COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CCNS(C)(=O)=O)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
AURKA O14965 3/20 0.41
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HSD17B10 Q99714 1/20 0.37
AURKB Q96GD4 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
OGA O60502 1/20 0.35

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
SCHEMBL6702451 0.95 TP53 (0.46) TP53GAAAURKARXFP1SMN1; SMN2
SCHEMBL6697382 0.94 TP53 (0.47) TP53GAAAURKASMN1; SMN2NPC1
SCHEMBL1341110 0.87 TP53 (0.47) TP53GAAAURKARXFP1SMN1; SMN2
SCHEMBL1342960 0.87 TP53 (0.47) TP53GAAAURKASMN1; SMN2NPC1
SCHEMBL1343039 0.86 TP53 (0.46) TP53GAAAURKASMN1; SMN2NPC1
SCHEMBL1341790 0.85 TP53 (0.48) TP53GAAAURKARXFP1SMN1; SMN2
SCHEMBL1343466 0.85 TP53 (0.45) TP53GAAAURKASMN1; SMN2NPC1
SCHEMBL1343733 0.84 TP53 (0.46) TP53GAAAURKASMN1; SMN2NPC1
SCHEMBL2651341 0.84 ALDH1A1 (0.44) TP53GAAAURKARXFP1HSD17B10
SCHEMBL6700223 0.84 TP53 (0.44) TP53GAAAURKASMN1; SMN2NPC1

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