SCHEMBL28111097

SCHEMBL28111097

CC(C)(C)C(=O)ONCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 14/20 0.59
CARM1 Q86X55 6/20 0.59

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
SCHEMBL28836607 0.90 KLKB1 (0.61) KLKB1CARM1
SCHEMBL28111707 0.87 KLKB1 (0.57) KLKB1CARM1
SCHEMBL17064709 0.86 KLKB1 (0.68) KLKB1CARM1
SCHEMBL29826019 0.86 KLKB1 (0.68) KLKB1CARM1
SCHEMBL17064713 0.84 KLKB1 (0.84) KLKB1CARM1
SCHEMBL31067474 0.84 KLKB1 (0.84) KLKB1CARM1
SCHEMBL25307386 0.84 KLKB1 (0.61) KLKB1CARM1
SCHEMBL28111227 0.84 KLKB1 (0.58) KLKB1CARM1
SCHEMBL14565461 0.82 CARM1 (0.86) KLKB1CARM1

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