SCHEMBL3432235

SCHEMBL3432235

CC(Nc1c(C(N)=O)cccc1-n1c2ccccc2c2c(-c3cnc4ccccc4c3)cccc21)C1(O)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.42
MTOR P42345 1/20 0.39

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
SCHEMBL2183755 0.79 HSP90AA1 (0.40) HSP90AA1MTOR
SCHEMBL27851808 0.72 HSP90AA1 (0.54) HSP90AA1
SCHEMBL2183955 0.72 HSP90AA1 (0.47) HSP90AA1
SCHEMBL13658316 0.72 HSP90AA1 (0.58) HSP90AA1
SCHEMBL28794448 0.71 HSP90AA1 (0.48) HSP90AA1
SCHEMBL3432987 0.71 HSP90AA1 (0.64) HSP90AA1
SCHEMBL2185438 0.71 HSP90AA1 (0.54) HSP90AA1
SCHEMBL2185440 0.71 HSP90AA1 (0.54) HSP90AA1
Hydrochloric Acid SCHEMBL2183417 0.71 HSP90AA1 (0.63) HSP90AA1
SCHEMBL2183963 0.70 HSP90AA1 (0.51) 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
EP-2265598-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF Sanofi-Aventis (FR) 2010-12-29 EP disclosed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 WO disclosed