SCHEMBL10072746

SCHEMBL10072746

Cc1cc(O)ccc1-c1n[nH]c(=S)n1-c1cccc2c1ccn2CCO

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.44
HSP90AB1 P08238 1/20 0.44
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 9/20 0.38
HPGD P15428 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
STAT3 P40763 1/20 0.38
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
RORC P51449 1/20 0.35
ALOX12 P18054 1/20 0.35
HTR6 P50406 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
SCHEMBL12180263 0.92 HSP90AA1 (0.48) HSP90AA1HSP90AB1KDM4EMAPTL3MBTL1
SCHEMBL12066695 0.90 HSP90AA1 (0.46) HSP90AA1HSP90AB1KDM4EMAPTL3MBTL1
SCHEMBL12285611 0.90 HSP90AA1 (0.53) HSP90AA1HSP90AB1KDM4EMAPTL3MBTL1
SCHEMBL421083 0.83 HSP90AA1 (0.51) HSP90AA1HSP90AB1KDM4EMAPTL3MBTL1
SCHEMBL419759 0.83 HSP90AA1 (0.58) HSP90AA1HSP90AB1KDM4EMAPTL3MBTL1
SCHEMBL12066694 0.82 HSP90AA1 (0.44) HSP90AA1HSP90AB1KDM4EMAPTL3MBTL1
SCHEMBL10072747 0.79 HSP90AA1 (0.41) HSP90AA1HSP90AB1KDM4EMAPTL3MBTL1
SCHEMBL14136222 0.79 HSP90AA1 (0.41) HSP90AA1HSP90AB1KDM4EMAPTL3MBTL1
SCHEMBL13983088 0.78 HSP90AA1 (0.53) HSP90AA1HSP90AB1KDM4EMAPTL3MBTL1
SCHEMBL13983420 0.78 HSP90AA1 (0.64) HSP90AA1HSP90AB1KDM4EMAPTL3MBTL1

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 12 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-2013067165-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH PLATINUM-CONTAINING AGENTS SYNTA PHARMACEUTICALS CORP. (US) 2013-05-10 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-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-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-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