SCHEMBL1734074

SCHEMBL1734074

CCN(C(=O)c1cc2c(CC3CCCCC3)n[nH]c2cc1O)c1ccc(CNS(C)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.56
HSP90AB1 P08238 19/20 0.56
AAK1 Q2M2I8 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
SCHEMBL1733582 0.90 HSP90AA1 (0.68) HSP90AA1HSP90AB1
SCHEMBL1734166 0.89 HSP90AA1 (0.69) HSP90AA1HSP90AB1
SCHEMBL1732975 0.86 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL1732903 0.77 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL1732938 0.76 HSP90AA1 (0.75) HSP90AA1HSP90AB1
SCHEMBL1733120 0.76 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL1732900 0.75 HSP90AA1 (0.75) HSP90AA1HSP90AB1
SCHEMBL1733637 0.75 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL1733249 0.75 HSP90AA1 (0.72) HSP90AA1HSP90AB1
SCHEMBL1734152 0.74 HSP90AA1 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035391-B1 INDAZOLE DERIVATIVES FOR TREATING HSP90-INDUCED DISEASES MERCK PATENT GMBH (DE) 2011-11-23 EP claimed