SCHEMBL3973742

SCHEMBL3973742

CCc1cc(-n2nnc(S)c2-c2cccc3[nH]c(C(C)C)cc23)c(O)cc1O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.34
DDO Q99489 1/20 0.34
HSP90AA1 P07900 11/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL3974314 0.90 DAO (0.34) DAODDOHSP90AA1KDM4EALDH1A1
SCHEMBL3978017 0.84 HSP90AA1 (0.34) HSP90AA1
SCHEMBL3972901 0.84 HSP90AA1 (0.34) DAODDOHSP90AA1KDM4EALDH1A1
SCHEMBL3980046 0.83 SLC5A1 (0.32) HSP90AA1
SCHEMBL1148321 0.83 HSP90AA1 (0.34) HSP90AA1KDM4EALDH1A1LMNAMAPT
SCHEMBL3973855 0.83 GRIN2D (0.34) DAODDOHSP90AA1KDM4EALDH1A1
SCHEMBL1148697 0.81 ALDH1A1 (0.41) HSP90AA1KDM4EALDH1A1LMNAMAPT
SCHEMBL1148442 0.81 HSP90AA1 (0.35) HSP90AA1ALDH1A1MAPTHSD17B10
SCHEMBL1148410 0.79 KDM4E (0.32) HSP90AA1KDM4EMAPTHPGDHSD17B10
SCHEMBL3973482 0.79 KDM4E (0.39) DAODDOHSP90AA1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054059-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-05-06 EP claimed
WO-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 WO claimed
EP-1817295-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2007-08-15 EP claimed
WO-2006055760-A9 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2006-09-21 WO claimed
WO-2006055760-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2006-05-26 WO claimed
WO-2008112199-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. (US) 2008-09-18 WO disclosed