Triaziquone

Triaziquone

SCHEMBL4066552

Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)C(N)CCCCN(C)C)CC5)CCCC4)c3Cl)c2n1.O=C(O)C(F)(F)F.O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1

nearest known ligand 0.81

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.81

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
Triaziquone SCHEMBL4057503 0.95 BDKRB2 (0.81) BDKRB2
Triaziquone SCHEMBL4482793 0.94 BDKRB2 (0.72) BDKRB2
Trifluoroacetic Acid SCHEMBL4066566 0.94 BDKRB2 (0.93) BDKRB2
Triaziquone SCHEMBL4059177 0.93 BDKRB2 (0.69) BDKRB2
Triaziquone SCHEMBL4058571 0.92 BDKRB2 (0.70) BDKRB2
SCHEMBL4239230 0.90 BDKRB2 (1.00) BDKRB2
SCHEMBL4239239 0.90 BDKRB2 (1.00) BDKRB2
Triaziquone SCHEMBL4058365 0.90 BDKRB2 (0.67) BDKRB2
Triaziquone SCHEMBL4062818 0.90 BDKRB2 (0.72) BDKRB2
Trifluoroacetic Acid SCHEMBL4057508 0.88 BDKRB2 (0.92) BDKRB2

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
EP-1513531-B1 BASIC NON-PEPTIDE BRADYKININ ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREFROM MENARINI RICERCHE SPA (IT) 2009-10-21 EP disclosed