SCHEMBL13658221

SCHEMBL13658221

CN1CCCC2CC(Nc3cc(-n4c5ccccc5c5c(-c6cnc7ccccc7c6)cccc54)ccc3C(N)=O)CC21

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.56

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
SCHEMBL2183817 0.87 HSP90AA1 (0.61) HSP90AA1
SCHEMBL3435292 0.86 HSP90AA1 (0.65) HSP90AA1
SCHEMBL2180479 0.84 HSP90AA1 (0.63) HSP90AA1
SCHEMBL2180541 0.84 HSP90AA1 (0.75) HSP90AA1
SCHEMBL3432987 0.83 HSP90AA1 (0.64) HSP90AA1
SCHEMBL12411733 0.83 HSP90AA1 (0.65) HSP90AA1
SCHEMBL13658224 0.83 HSP90AA1 (0.39) HSP90AA1
SCHEMBL12411682 0.83 HSP90AA1 (0.59) HSP90AA1
Hydrochloric Acid SCHEMBL2183417 0.82 HSP90AA1 (0.63) HSP90AA1
SCHEMBL2184038 0.82 HSP90AA1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 WO disclosed