SCHEMBL2662263

SCHEMBL2662263

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CCCC(=O)O)s1.COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(Sc2ncc[nH]2)s1.COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(Sc2nccn2C)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
ITK Q08881 2/20 0.33
AURKA O14965 1/20 0.32
TXK P42681 2/20 0.32
JAK3 P52333 2/20 0.32
BTK Q06187 2/20 0.32
MAPT P10636 4/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NTRK1 P04629 1/20 0.31
NTRK2 Q16620 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
MAPK13 O15264 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
GCK P35557 1/20 0.30

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
SCHEMBL1341946 0.85 TP53 (0.44) TP53GAAITKTXKJAK3
SCHEMBL1343486 0.84 TP53 (0.45) TP53GAAITKTXKJAK3
SCHEMBL1343107 0.82 TP53 (0.49) TP53GAAAURKAMAPTKMT2A
SCHEMBL2651209 0.80 TP53 (0.41) TP53GAAAURKAMAPTKMT2A
SCHEMBL6696522 0.80 TP53 (0.42) TP53GAAAURKAMAPTKMT2A
SCHEMBL6697168 0.79 TP53 (0.42) TP53GAAMAPTKMT2ALMNA
SCHEMBL2656451 0.78 TP53 (0.43) TP53GAAAURKAMAPTKMT2A
SCHEMBL2662261 0.78
SCHEMBL1342456 0.75 TP53 (0.44) TP53GAAITKTXKJAK3
SCHEMBL2650152 0.74 TP53 (0.41) TP53GAAAURKAMAPTKMT2A

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