SCHEMBL10344908

SCHEMBL10344908

CCc1cc(-c2n[nH]c(=S)n2-c2ccc3[nH]c(C)c(C)c3c2)c(C)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 8/20 0.51
HPGD P15428 8/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 8/20 0.48
MAPT P10636 5/20 0.47
GFER P55789 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 3/20 0.42
RPA1 P27694 2/20 0.39
HSP90AA1 P07900 3/20 0.39
HSP90AB1 P08238 2/20 0.39
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL419816 0.94 MEN1 (0.53) MEN1KMT2AKDM4EHPGDHTT
SCHEMBL10344907 0.82 HSP90AA1 (0.45) KMT2AKDM4EHPGDALDH1A1MAPT
SCHEMBL10345296 0.81 ALDH1A1 (0.37) MEN1KMT2AKDM4EHPGDHTT
SCHEMBL8931406 0.79 RPA1 (0.42) MEN1KMT2AKDM4EHPGDHTT
SCHEMBL8931385 0.79 HSP90AA1 (0.44) MEN1KMT2AKDM4EHPGDHTT
SCHEMBL13983500 0.78 HSP90AA1 (0.47) KMT2AKDM4EHPGDHTTALDH1A1
SCHEMBL12832356 0.78 HSP90AA1 (0.41) MEN1KMT2AKDM4EHPGDHTT
SCHEMBL421095 0.77 HSP90AA1 (0.52) KMT2AKDM4EHPGDALDH1A1MAPT
SCHEMBL421132 0.76 HSP90AA1 (0.48) KMT2AKDM4EHPGDALDH1A1MAPT
SCHEMBL4566924 0.76 HSP90AA1 (0.46) MEN1KMT2AKDM4EHPGDHTT

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 9 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-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-2012162372-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH MTOR/P13K 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-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