SCHEMBL10344967

SCHEMBL10344967

Cc1cc(O)ccc1-c1n[nH]c(=S)n1-c1cccc2[nH]c(C)c(C)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 8/20 0.42
HTT P42858 4/20 0.42
HSP90AA1 P07900 4/20 0.42
HSP90AB1 P08238 1/20 0.41
TDP1 Q9NUW8 5/20 0.41
HPGD P15428 8/20 0.41
LMNA P02545 1/20 0.41
STAT3 P40763 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL464268 0.93 KDM4E (0.53) KDM4EMAPTGAAL3MBTL1ALDH1A1
SCHEMBL13983151 0.83 TDP1 (0.59) KDM4EMAPTGAAL3MBTL1ALDH1A1
SCHEMBL13983414 0.81 HSP90AA1 (0.62) KDM4EMAPTGAAL3MBTL1ALDH1A1
SCHEMBL10072740 0.80 HSP90AA1 (0.46) KDM4EMAPTGAAL3MBTL1ALDH1A1
SCHEMBL13983483 0.79 KDM4E (0.48) KDM4EMAPTGAAL3MBTL1ALDH1A1
SCHEMBL13983088 0.78 HSP90AA1 (0.53) KDM4EMAPTGAAL3MBTL1ALDH1A1
SCHEMBL13983420 0.78 HSP90AA1 (0.64) KDM4EMAPTGAAL3MBTL1ALDH1A1
SCHEMBL13983479 0.78 HSP90AA1 (0.60) KDM4EMAPTGAAL3MBTL1ALDH1A1
SCHEMBL13983103 0.77 ALDH1A1 (0.48) KDM4EMAPTGAAL3MBTL1ALDH1A1
SCHEMBL13983080 0.77 HSP90AA1 (0.64) KDM4EMAPTGAAL3MBTL1ALDH1A1

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 14 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-2012162372-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH MTOR/P13K INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2012-11-29 WO disclosed
WO-2012162584-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK 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-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