SCHEMBL9924878

SCHEMBL9924878

CNC(=O)n1ccc2c(-n3c(-c4ccc(O)cc4O)n[nH]c3=S)cccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSP90AA1 P07900 6/20 0.46
HSP90AB1 P08238 2/20 0.46
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
STAT3 P40763 1/20 0.43
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLK1 P53350 1/20 0.35
GLO1 Q04760 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL10072747 0.94 HSP90AA1 (0.41) KDM4EMAPTGAAL3MBTL1HSP90AA1
SCHEMBL419793 0.87 KDM4E (0.47) KDM4EMAPTGAAL3MBTL1HSP90AA1
SCHEMBL421083 0.81 HSP90AA1 (0.51) KDM4EMAPTGAAL3MBTL1HSP90AA1
SCHEMBL420040 0.81 KDM4E (0.50) KDM4EMAPTGAAL3MBTL1HSP90AA1
SCHEMBL14136222 0.80 HSP90AA1 (0.41) KDM4EMAPTGAAL3MBTL1HSP90AA1
SCHEMBL12180263 0.78 HSP90AA1 (0.48) KDM4EMAPTGAAL3MBTL1HSP90AA1
SCHEMBL419759 0.77 HSP90AA1 (0.58) KDM4EMAPTGAAL3MBTL1HSP90AA1
SCHEMBL15868432 0.76 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL12180117 0.76 HSP90AA1 (0.56) KDM4EMAPTGAAL3MBTL1HSP90AA1
SCHEMBL12180084 0.76 HSP90AA1 (0.50) KDM4EMAPTGAAL3MBTL1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012078757-A2 COMBINATION BREAST CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2012-06-14 WO disclosed
WO-2011146801-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-11-24 WO disclosed
WO-2011049946-A1 COMBINATION CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-04-28 WO disclosed
WO-2007140002-A2 METHOD FOR TREATING NON-HODGKIN'S LYMPHOMA SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed