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SCHEMBL6442759

SCHEMBL6442759

Cc1cc(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)NC[C@H](C(=O)N2CCCC2)c2ccc(C#N)cc2)c(C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 19/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL13598897 0.87 BDKRB1 (0.42) BDKRB1ALDH1A1POLB
SCHEMBL4420195 0.87 BDKRB1 (0.42) BDKRB1ALDH1A1POLB
SCHEMBL13598894 0.87 BDKRB1 (0.42) BDKRB1ALDH1A1POLB
SCHEMBL4424802 0.87 BDKRB1 (0.42) BDKRB1ALDH1A1POLB
SCHEMBL13604047 0.85 BDKRB1 (0.42) BDKRB1ALDH1A1POLB
SCHEMBL4423438 0.83 BDKRB1 (0.56) BDKRB1ALDH1A1POLB
SCHEMBL4431862 0.82 BDKRB1 (0.49) BDKRB1ALDH1A1POLB
SCHEMBL4422959 0.81 BDKRB1 (0.52) BDKRB1ALDH1A1POLB
SCHEMBL5561277 0.80 BDKRB1 (0.47) BDKRB1ALDH1A1POLB
SCHEMBL4422545 0.79 BDKRB1 (0.48) BDKRB1ALDH1A1POLB

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-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 — — EP disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 — — WO disclosed