SCHEMBL14218364

SCHEMBL14218364

COc1cc(O)c(C(C)C)cc1-c1nnc(S)n1-c1ccc(OC)c(N(C)CCN(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.41
HSP90AB1 P08238 20/20 0.41

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
SCHEMBL1148489 0.95 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL14345055 0.92 HSP90AB1 (0.44) HSP90AA1HSP90AB1
SCHEMBL4785100 0.88 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL1148566 0.88 HSP90AA1 (0.45) HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL4742041 0.88 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL1148296 0.88 HSP90AB1 (0.49) HSP90AA1HSP90AB1
SCHEMBL1148493 0.88 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL15759948 0.87 HSP90AA1 (0.38) HSP90AA1HSP90AB1
SCHEMBL4794194 0.87 HSP90AA1 (0.43) HSP90AA1HSP90AB1
SCHEMBL1148644 0.87 HSP90AA1 (0.43) 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-2008051416-A2 COMPOUNDS THAT INHIBIT THE ACTIVITY OF HSP90 FOR TREATING INFECTIONS SYNTA PHARMACEUTICALS CORP. (US) 2008-05-02 WO disclosed