SCHEMBL2651341

SCHEMBL2651341

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CCNC(=O)CN(CCc2cnc(NC(=O)Nc3ccc(C)cc3C(=O)c3ccccc3OC)s2)S(C)(=O)=O)s1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
AURKA O14965 3/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
AURKB Q96GD4 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 0.85 TP53 (0.46) ALDH1A1TP53GAAAURKALMNA
SCHEMBL1342960 0.85 TP53 (0.47) ALDH1A1TP53GAAAURKALMNA
SCHEMBL6697382 0.85 TP53 (0.47) ALDH1A1TP53GAAAURKALMNA
SCHEMBL6700223 0.84 TP53 (0.44) ALDH1A1TP53GAAAURKALMNA
SCHEMBL1343039 0.84 TP53 (0.46) ALDH1A1TP53GAAAURKALMNA
SCHEMBL2651340 0.84 TP53 (0.42) ALDH1A1TP53GAAAURKALMNA
SCHEMBL1343466 0.83 TP53 (0.45) ALDH1A1TP53GAAAURKALMNA
SCHEMBL1343733 0.82 TP53 (0.46) ALDH1A1TP53GAAAURKALMNA
SCHEMBL6697734 0.82 TP53 (0.41) ALDH1A1TP53GAAAURKALMNA
SCHEMBL6696150 0.80 TP53 (0.46) TP53GAAAURKALMNARXFP1

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