SCHEMBL20713732

SCHEMBL20713732

CNC(=O)CNC(=O)c1csc(C2CC(O)CN2C)n1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 0.40
KLKB1 P03952 18/20 0.38

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
SCHEMBL20713774 0.81 ACKR3 (0.44) NAA50KLKB1
SCHEMBL22277237 0.79 KLKB1 (0.44) KLKB1
SCHEMBL20713642 0.76 KLKB1 (0.40) NAA50KLKB1
SCHEMBL20713881 0.75 KLKB1 (0.38) NAA50KLKB1
SCHEMBL20713771 0.74 TRPC3 (0.42) KLKB1
SCHEMBL20713634 0.74 KLKB1 (0.43) NAA50KLKB1
SCHEMBL22277258 0.73 KLKB1 (0.66) KLKB1
SCHEMBL22277246 0.73 KLKB1 (0.67) KLKB1
SCHEMBL22277264 0.72 KLKB1 (0.60) KLKB1
SCHEMBL15296758 0.71 HIF1A (0.55)

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