SCHEMBL4786235

SCHEMBL4786235

CCCN(C)c1ccc(-n2c(S)nnc2-c2cc(C(C)C)c(O)cc2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.58
HSP90AB1 P08238 20/20 0.58

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
SCHEMBL4740722 0.91 HSP90AA1 (0.56) HSP90AA1HSP90AB1
SCHEMBL4788320 0.89 HSP90AA1 (0.48) HSP90AA1HSP90AB1
SCHEMBL4740712 0.87 HSP90AA1 (0.75) HSP90AA1HSP90AB1
SCHEMBL4785942 0.86 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL4787309 0.85 HSP90AA1 (0.46) HSP90AA1HSP90AB1
SCHEMBL1148566 0.84 HSP90AA1 (0.45) HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL4742041 0.83 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL16604235 0.82 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL4785806 0.82 HSP90AA1 (0.46) HSP90AA1HSP90AB1
SCHEMBL13500290 0.81 HSP90AA1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008103353-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 WO claimed
WO-2008103353-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 WO disclosed
WO-2008103353-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 WO disclosed