SCHEMBL13658409

SCHEMBL13658409

CC(C)(O)CCNc1cc(-n2c3ccccc3c3c(-c4ccc(N)nc4)cccc32)ccc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.43

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
SCHEMBL2181398 0.89 HSP90AA1 (0.41) HSP90AA1
SCHEMBL2182163 0.88 HSP90AA1 (0.57) HSP90AA1
SCHEMBL13658219 0.83 HSP90AA1 (0.55) HSP90AA1
SCHEMBL2183746 0.82 USP14 (0.35) HSP90AA1
SCHEMBL13658408 0.82 HSP90AA1 (0.42) HSP90AA1
SCHEMBL3415327 0.81 HSP90AA1 (0.48) HSP90AA1
SCHEMBL12411684 0.81 HSP90AA1 (0.65) HSP90AA1
Hydrochloric Acid SCHEMBL2183077 0.80 HSP90AA1 (0.47) HSP90AA1
SCHEMBL2182539 0.80 USP14 (0.33) HSP90AA1
SCHEMBL2183426 0.80 HSP90AA1 (0.37) 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