SCHEMBL3702087

SCHEMBL3702087

CC(C)c1cc(-c2nnc(S)n2C2=CCC3=CC4(CC3=C2)OCCO4)c(O)cc1OP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.39
HSP90AB1 P08238 3/20 0.39

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
SCHEMBL2263140 0.76 HSP90AA1 (0.52) HSP90AA1HSP90AB1
SCHEMBL446002 0.66 HSP90AA1 (0.43) HSP90AA1HSP90AB1
SCHEMBL1585986 0.63 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL12368044 0.62 HSP90AB1 (0.61) HSP90AA1HSP90AB1
SCHEMBL1586249 0.62 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL13950203 0.62 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL3703704 0.61 HSP90AA1 (0.43) HSP90AA1HSP90AB1
SCHEMBL1586649 0.61 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL420150 0.60 HSP90AA1 (0.74) HSP90AA1HSP90AB1
SCHEMBL30050709 0.60 HSP90AA1 (0.74) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193135-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2010-06-09 EP disclosed
WO-2009023211-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2009-02-19 WO disclosed