SCHEMBL7724933

SCHEMBL7724933

COc1ccc2nccc([C@H](F)CC[C@@H]3CCN(CCCSc4cccs4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.67

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
SCHEMBL7724932 1.00 KCNH2 (0.67) KCNH2
SCHEMBL7724938 1.00 KCNH2 (0.67) KCNH2
SCHEMBL6605513 0.96 KCNH2 (0.73) KCNH2
SCHEMBL6605504 0.96 KCNH2 (0.73) KCNH2
SCHEMBL6604238 0.96 KCNH2 (0.73) KCNH2
SCHEMBL6606732 0.96 KCNH2 (0.73) KCNH2
SCHEMBL6604241 0.96 KCNH2 (0.73) KCNH2
SCHEMBL7721331 0.94 KCNH2 (0.66) KCNH2
SCHEMBL7721334 0.94 KCNH2 (0.66) KCNH2
SCHEMBL7725084 0.92 KCNH2 (0.79) KCNH2

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
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed