SCHEMBL20713751

SCHEMBL20713751

NCc1ccc(CCNC(=O)c2csc(C3CCCN3C(=O)c3cn4cc(Cl)ccc4n3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 16/20 0.77
USP30 Q70CQ3 1/20 0.40
GFER P55789 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MCHR1 Q99705 1/20 0.36

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
SCHEMBL20713747 0.92 KLKB1 (0.77) KLKB1USP30GFERHRH4HRH3
SCHEMBL20713778 0.91 KLKB1 (0.65) KLKB1USP30
SCHEMBL22277317 0.91 KLKB1 (0.65) KLKB1USP30
SCHEMBL20705131 0.87 KLKB1 (1.00) KLKB1
SCHEMBL20713749 0.86 KLKB1 (0.59) KLKB1USP30
SCHEMBL20713656 0.85 KLKB1 (0.64) KLKB1USP30GFERHRH4HRH3
SCHEMBL20713753 0.84 KLKB1 (0.62) KLKB1USP30GFERHRH4HRH3
SCHEMBL20713772 0.84 KLKB1 (0.64) KLKB1USP30
SCHEMBL20713648 0.83 KLKB1 (0.64) KLKB1USP30GFERHRH4HRH3
SCHEMBL20713763 0.83 KLKB1 (0.64) KLKB1USP30GFERHRH4HRH3

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
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed