SCHEMBL2649545

SCHEMBL2649545

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CCc2nc(C(=O)OC(=O)c3nc(CCc4cnc(NC(=O)Nc5ccc(C)cc5C(=O)c5ccccc5OC)s4)[nH]c3C(F)(F)F)c(C)[nH]2)s1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
AURKA O14965 1/20 0.34
NCS1 P62166 1/20 0.34
PTGES O14684 3/20 0.33
SCD O00767 1/20 0.33
MAPK13 O15264 3/20 0.33
MAPK14 Q16539 2/20 0.33
PLK1 P53350 1/20 0.32
S1PR1 P21453 1/20 0.32
RORB Q92753 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2649551 0.93 TP53 (0.39) TP53GAANTRK1NTRK2AURKA
SCHEMBL1340595 0.91 TP53 (0.41) TP53GAANTRK1NTRK2AURKA
SCHEMBL1340546 0.88 TP53 (0.44) TP53GAANTRK1NTRK2AURKA
SCHEMBL1342895 0.81 NTRK1 (0.55) TP53GAANTRK1NTRK2AURKA
SCHEMBL1343556 0.79 NTRK1 (0.43) TP53GAANTRK1NTRK2AURKA
SCHEMBL1342642 0.78 TP53 (0.42) TP53GAAAURKANCS1SCD
SCHEMBL1342954 0.78 TP53 (0.44) TP53GAANTRK1NTRK2AURKA
SCHEMBL1343042 0.78 TP53 (0.44) TP53GAANTRK1NTRK2AURKA
SCHEMBL1342625 0.78 TP53 (0.44) TP53GAANTRK1NTRK2AURKA
SCHEMBL1341691 0.76 TP53 (0.44) TP53GAAAURKAKMT2ALMNA

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