SCHEMBL2651422

SCHEMBL2651422

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(Cc2nc(C(=O)O)cn2C)s1.COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(Cc2nc(C(=O)O)co2)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER1 P34995 1/20 0.36
AURKA O14965 1/20 0.34
NTRK1 P04629 2/20 0.34
NTRK2 Q16620 2/20 0.34
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RIPK1 Q13546 3/20 0.33
MEN1 O00255 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
FBP1 P09467 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
SCHEMBL1342633 0.94 TP53 (0.47) TP53GAAMAPTLMNAHTT
SCHEMBL1343305 0.93 GAA (0.48) TP53GAAMAPTLMNAHTT
SCHEMBL2651424 0.93 GAA (0.40) TP53GAAMAPTLMNAHTT
SCHEMBL1342775 0.88 TP53 (0.44) TP53GAAMAPTLMNAHTT
SCHEMBL1343267 0.87 TP53 (0.44) TP53GAAMAPTLMNAHTT
SCHEMBL1343456 0.83 TP53 (0.43) TP53GAAMAPTLMNAHTT
SCHEMBL1343692 0.82 TP53 (0.42) TP53GAAMAPTLMNAHTT
SCHEMBL1342445 0.82 TP53 (0.44) TP53GAAMAPTLMNAHTT
SCHEMBL1344127 0.80 TP53 (0.47) TP53GAAMAPTLMNAHTT
SCHEMBL1342456 0.80 TP53 (0.44) TP53GAAMAPTLMNAHTT

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