SCHEMBL13895458

SCHEMBL13895458

COC(=O)CCC(=O)O[C@@H](C)C(=O)N1CCC(CCn2c(Sc3cc(O)c(O)cc3Br)nc3c(N)ncnc32)CC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.65
HSP90AB1 P08238 20/20 0.65

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
SCHEMBL13895489 0.93 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL13895461 0.92 HSP90AA1 (0.68) HSP90AA1HSP90AB1
SCHEMBL13895413 0.91 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL13895434 0.91 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL13895416 0.91 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL13895460 0.90 HSP90AA1 (0.68) HSP90AA1HSP90AB1
SCHEMBL13895415 0.88 HSP90AA1 (0.66) HSP90AA1HSP90AB1
SCHEMBL3523057 0.87 HSP90AA1 (0.81) HSP90AA1HSP90AB1
SCHEMBL13895435 0.85 HSP90AA1 (0.62) HSP90AA1HSP90AB1
SCHEMBL13731293 0.85 HSP90AA1 (0.79) 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
WO-2012148550-A1 PRODRUGS OF THERAPEUTIC COMPOUNDS MYREXIS, INC. (US) 2012-11-01 WO disclosed