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SCHEMBL949494

SCHEMBL949494

NC(=O)c1ccc(-n2ccc3c(-c4cnc5ccccc5c4)cccc32)cc1N[C@H]1CC[C@H](O)CC1

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
SCHEMBL2693719 0.88 HSP90AA1 (0.79) HSP90AA1
SCHEMBL2693718 0.88 HSP90AA1 (0.79) HSP90AA1
SCHEMBL424095 0.88 HSP90AA1 (1.00) HSP90AA1
SCHEMBL424096 0.88 HSP90AA1 (1.00) HSP90AA1
SCHEMBL949717 0.86 HSP90AA1 (0.76) HSP90AA1
SCHEMBL2180541 0.86 HSP90AA1 (0.75) HSP90AA1
SCHEMBL951487 0.85 HSP90AA1 (1.00) HSP90AA1
SCHEMBL951938 0.85 HSP90AA1 (0.74) HSP90AA1
SCHEMBL13190306 0.82 HSP90AA1 (1.00) HSP90AA1
SCHEMBL953524 0.82 HSP90AA1 (0.76) 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 3 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
WO-2011004132-A1 NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 — — WO disclosed