SCHEMBL10345296

SCHEMBL10345296

CCc1cc(-c2nnc(S)n2-c2ccc3[nH]c(C)c(C)c3c2)c(C)cc1O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
POLB P06746 3/20 0.36
HCRTR1 O43613 1/20 0.36
MAPT P10636 8/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 4/20 0.34
HPGD P15428 4/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GFER P55789 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
HSP90AA1 P07900 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL421071 0.94 ALDH1A1 (0.38) ALDH1A1POLBHCRTR1MAPTTP53
SCHEMBL2596695 0.86 SMN1; SMN2 (0.37) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL1586060 0.82 GAA (0.35) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL9924955 0.82 HSP90AA1 (0.34) ALDH1A1POLBMAPTHPGDMEN1
SCHEMBL10344908 0.81 MEN1 (0.52) ALDH1A1POLBHCRTR1MAPTKDM4E
SCHEMBL1344009 0.80 HCRTR1 (0.36) ALDH1A1POLBHCRTR1MAPTTP53
SCHEMBL14618684 0.79 HCRTR1 (0.35) ALDH1A1POLBHCRTR1MAPTTP53
SCHEMBL931175 0.79 HTR1A (0.34) ALDH1A1MAPTKDM4EHSP90AA1SMN1; SMN2
SCHEMBL930153 0.77 HSP90AA1 (0.34) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL15940226 0.76 MAP3K11 (0.39) ALDH1A1MAPTKDM4EHPGDMEN1

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 10 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-2013006864-A2 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2013-01-10 WO disclosed
WO-2012162293-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH MEK 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-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-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