SCHEMBL28111170

SCHEMBL28111170

NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2c[c]ccc2)c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 17/20 0.79
CARM1 Q86X55 1/20 0.63
F2 P00734 2/20 0.61
F10 P00742 2/20 0.61
PRSS1 P07477 2/20 0.61
PRSS2 P07478 2/20 0.61
PRSS3 P35030 2/20 0.61

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
SCHEMBL28111188 0.89 KLKB1 (0.83) KLKB1CARM1F2F10PRSS1
SCHEMBL30415357 0.84 KLKB1 (0.87) KLKB1CARM1
SCHEMBL18604685 0.84 KLKB1 (0.87) KLKB1CARM1
SCHEMBL17064482 0.84 KLKB1 (0.87) KLKB1CARM1
SCHEMBL31067520 0.84 KLKB1 (0.87) KLKB1CARM1
SCHEMBL28111084 0.84 KLKB1 (0.63) KLKB1CARM1F2F10PRSS1
SCHEMBL18604968 0.83 KLKB1 (0.89) KLKB1CARM1F2F10PRSS1
SCHEMBL31067583 0.83 KLKB1 (0.89) KLKB1CARM1F2F10PRSS1
SCHEMBL17064713 0.82 KLKB1 (0.84) KLKB1CARM1
Hydrochloric Acid SCHEMBL18604713 0.82 KLKB1 (0.87) KLKB1CARM1F2F10PRSS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
CN-113307772-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-08-27 CN disclosed
CN-106257976-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-02-02 CN disclosed
CN-106257976-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2016-12-28 CN disclosed