SCHEMBL5760945

SCHEMBL5760945

CCOC(=O)C(OCC(=O)OCCS(=O)(=O)c1ccc(C)cc1)Oc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 8/20 0.42
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3391356 0.81 GAA (0.52) KMT2AALDH1A1GAANPSR1LMNA
SCHEMBL5727238 0.75 KCNA5 (0.41) KMT2AALDH1A1GAAMEN1LMNA
SCHEMBL6370877 0.75 KMT2A (0.40) KMT2AALDH1A1GAANPSR1LMNA
SCHEMBL5760942 0.74 KMT2A (0.45) KMT2AALDH1A1GAANPSR1LMNA
SCHEMBL5368616 0.72 ALDH1A1 (0.56) KMT2AALDH1A1GAALMNAKDM4E
SCHEMBL5361897 0.72 KMT2A (0.43) KMT2AALDH1A1GAALMNAKDM4E
SCHEMBL5762956 0.71 KMT2A (0.44) KMT2AALDH1A1GAANPSR1LMNA
SCHEMBL14578750 0.70 LMNA (0.61) KMT2AALDH1A1GAALMNA
SCHEMBL11485663 0.70 KMT2A (0.54) KMT2AALDH1A1GAANPSR1MEN1
SCHEMBL28401707 0.70 ALDH1A1 (0.47) KMT2AALDH1A1GAAMEN1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed
EP-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 EP disclosed
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 WO disclosed