SCHEMBL951487

SCHEMBL951487

Cc1cn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2cccc(-c3cnc4ccccc4c3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 1.00

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
SCHEMBL12944196 0.93 HSP90AA1 (0.87) HSP90AA1
SCHEMBL2694025 0.89 HSP90AA1 (1.00) HSP90AA1
SCHEMBL2694024 0.89 HSP90AA1 (1.00) HSP90AA1
SCHEMBL420309 0.87 HSP90AA1 (1.00) HSP90AA1
SCHEMBL13190306 0.87 HSP90AA1 (1.00) HSP90AA1
SCHEMBL420310 0.87 HSP90AA1 (1.00) HSP90AA1
SCHEMBL953524 0.87 HSP90AA1 (0.76) HSP90AA1
SCHEMBL949997 0.86 HSP90AA1 (0.75) HSP90AA1
SCHEMBL949494 0.85 HSP90AA1 (1.00) HSP90AA1
SCHEMBL2695206 0.85 HSP90AA1 (0.94) HSP90AA1

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
WO-2011004132-A1 NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 WO claimed
WO-2011004132-A1 NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 WO disclosed