SCHEMBL28111668

SCHEMBL28111668

CC(C)(C)C(=O)ONCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(Cc3ccccc3)ccc2F)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 17/20 0.61
CARM1 Q86X55 3/20 0.52

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
SCHEMBL28111171 0.90 KLKB1 (0.61) KLKB1CARM1
SCHEMBL17064964 0.87 KLKB1 (0.64) KLKB1CARM1
SCHEMBL31067667 0.87 KLKB1 (0.61) KLKB1CARM1
SCHEMBL29825930 0.87 KLKB1 (0.61) KLKB1CARM1
SCHEMBL17064862 0.87 KLKB1 (0.61) KLKB1CARM1
SCHEMBL17064692 0.85 KLKB1 (0.80) KLKB1
SCHEMBL28111100 0.85 KLKB1 (0.63) KLKB1
SCHEMBL29825725 0.85 KLKB1 (0.80) KLKB1
SCHEMBL28836607 0.83 KLKB1 (0.61) KLKB1CARM1
SCHEMBL28111118 0.83 KLKB1 (0.79) KLKB1

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
CN-106257976-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2016-12-28 CN disclosed