SCHEMBL18368752

SCHEMBL18368752

Cc1cc(N)nc(C)c1CNC=O

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.44

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
SCHEMBL19780529 0.79 KLKB1 (0.46) KLKB1
SCHEMBL17446857 0.77 KLKB1 (0.44) KLKB1
SCHEMBL17442604 0.77 KLKB1 (0.57) KLKB1
SCHEMBL23279804 0.75 KLKB1 (0.53) KLKB1
SCHEMBL9696219 0.72 NOS3 (0.45) KLKB1
SCHEMBL7337621 0.72 NOS3 (0.41) KLKB1
SCHEMBL30000766 0.72 NOS3 (0.41) KLKB1
SCHEMBL5543692 0.72 ADH1B (0.39)
SCHEMBL21190236 0.72 KLKB1 (0.50) KLKB1
SCHEMBL19780325 0.72 KLKB1 (0.51) 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-2017001924-A1 THERAPEUTIC INHIBITORY COMPOUDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 WO disclosed