SCHEMBL20713747

SCHEMBL20713747

NCc1ccc(CNC(=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 0.43
GFER P55789 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ROCK2 O75116 1/20 0.37

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
SCHEMBL20713751 0.92 KLKB1 (0.77) KLKB1USP30GFERHRH4HRH3
SCHEMBL20713772 0.91 KLKB1 (0.64) KLKB1USP30ROCK2
SCHEMBL20713753 0.90 KLKB1 (0.62) KLKB1USP30GFERHRH4HRH3
SCHEMBL20705180 0.87 KLKB1 (1.00) KLKB1USP30
SCHEMBL20713784 0.86 KLKB1 (0.58) KLKB1
SCHEMBL20713648 0.84 KLKB1 (0.64) KLKB1USP30GFERHRH4HRH3
SCHEMBL20713763 0.84 KLKB1 (0.64) KLKB1USP30GFERHRH4HRH3
SCHEMBL22277317 0.84 KLKB1 (0.65) KLKB1USP30ROCK2
SCHEMBL20705067 0.82 KLKB1 (0.59) KLKB1GFERHRH4HRH3
SCHEMBL20705069 0.82 KLKB1 (0.59) KLKB1GFERHRH4HRH3

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