SCHEMBL13658358

SCHEMBL13658358

Cn1cc(CNc2cc(-n3c4c(c5c(-c6cnc7ccccc7c6)cccc53)CCC=C4)ccc2C(N)=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.48

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
SCHEMBL2183154 0.87 HSP90AA1 (0.54) HSP90AA1
SCHEMBL13658320 0.85 HSP90AA1 (0.49) HSP90AA1
SCHEMBL12411983 0.74 HSP90AA1 (0.51) HSP90AA1
SCHEMBL2184016 0.74 HSP90AA1 (0.57) HSP90AA1
SCHEMBL12411684 0.73 HSP90AA1 (0.65) HSP90AA1
SCHEMBL13658334 0.73 HSP90AA1 (0.39) HSP90AA1
SCHEMBL2181503 0.72 HSP90AA1 (0.56) HSP90AA1
SCHEMBL2181425 0.72 HSP90AA1 (0.52) HSP90AA1
SCHEMBL2180152 0.72 HSP90AA1 (0.52) HSP90AA1
SCHEMBL13658219 0.72 HSP90AA1 (0.55) 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