SCHEMBL10072747

SCHEMBL10072747

CNC(=O)n1ccc2c(-n3c(-c4ccc(O)cc4C)n[nH]c3=S)cccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.41
HSP90AB1 P08238 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 6/20 0.37
TDP1 Q9NUW8 6/20 0.37
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
STAT3 P40763 1/20 0.37
PLK1 P53350 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.35
RPA1 P27694 1/20 0.34
ALOX12 P18054 1/20 0.34
POLB P06746 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
SCHEMBL9924878 0.94 KDM4E (0.47) HSP90AA1HSP90AB1KDM4EMAPTGAA
SCHEMBL14136222 0.87 HSP90AA1 (0.41) HSP90AA1HSP90AB1KDM4EMAPTGAA
SCHEMBL12066695 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1KDM4EMAPTGAA
SCHEMBL12066694 0.81 HSP90AA1 (0.44) HSP90AA1HSP90AB1KDM4EMAPTGAA
SCHEMBL419793 0.80 KDM4E (0.47) HSP90AA1HSP90AB1KDM4EMAPTGAA
SCHEMBL10072746 0.79 HSP90AA1 (0.44) HSP90AA1HSP90AB1KDM4EMAPTGAA
SCHEMBL12285611 0.77 HSP90AA1 (0.53) HSP90AA1HSP90AB1KDM4EMAPTGAA
SCHEMBL13983420 0.77 HSP90AA1 (0.64) HSP90AA1HSP90AB1KDM4EMAPTGAA
SCHEMBL13983088 0.77 HSP90AA1 (0.53) HSP90AA1HSP90AB1KDM4EMAPTGAA
SCHEMBL13983413 0.76 HSP90AA1 (0.45) HSP90AA1HSP90AB1KDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013170159-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 WO disclosed
WO-2013074594-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH BRAF INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2013-05-23 WO disclosed
WO-2013067162-A1 CANCER THERAPY USING A COMBINATION OF HSP90 INHIBITORS WITH TOPOISOMERASE I INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2013-05-10 WO disclosed
WO-2013067165-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH PLATINUM-CONTAINING AGENTS SYNTA PHARMACEUTICALS CORP. (US) 2013-05-10 WO disclosed
WO-2013006864-A2 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2013-01-10 WO disclosed
WO-2012162584-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2012-11-29 WO disclosed
WO-2012162372-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH MTOR/P13K INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2012-11-29 WO disclosed
WO-2012162293-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH MEK INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2012-11-29 WO disclosed
WO-2012096919-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH PROTEASOME INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 WO disclosed
WO-2012037072-A1 HSP90 INHIBITORS FOR TREATING NON-SMALL CELL LUNG CANCERS IN WILD-TYPE EGFR AND/OR KRAS PATIENTS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-03-22 WO disclosed
WO-2011149824-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUND AND A TOPOISOMERASE II INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 WO disclosed
WO-2011146803-A1 METHOD OF TREATING LUNG ADENOCARCINOMA WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-11-24 WO disclosed
WO-2011133521-A2 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A VEGF INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2011-10-27 WO disclosed
WO-2011133520-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A EGFR INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2011-10-27 WO disclosed
WO-2008153730-A2 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET SYNTA PHARMACEUTICALS CORP. (US) 2008-12-18 WO disclosed