SCHEMBL20713784

SCHEMBL20713784

Nc1nccc2cc(CNC(=O)c3csc(C4CCCN4C(=O)c4cn5cc(Cl)ccc5n4)n3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.58
KLK1 P06870 3/20 0.43

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
SCHEMBL20713749 0.93 KLKB1 (0.59) KLKB1KLK1
SCHEMBL20705083 0.89 KLKB1 (0.75) KLKB1KLK1
SCHEMBL29393974 0.89 KLKB1 (0.75) KLKB1KLK1
SCHEMBL20713753 0.88 KLKB1 (0.62) KLKB1
SCHEMBL20713890 0.86 KLKB1 (0.60) KLKB1
SCHEMBL20713747 0.86 KLKB1 (0.77) KLKB1
SCHEMBL20713772 0.83 KLKB1 (0.64) KLKB1
SCHEMBL20705090 0.82 KLKB1 (0.76) KLKB1
SCHEMBL20705290 0.82 KLKB1 (0.76) KLKB1
SCHEMBL29391737 0.82 KLKB1 (0.76) 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
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed