SCHEMBL21367965

SCHEMBL21367965

CNCc1ncn2ccc(Cl)cc12

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
SCHEMBL21368385 0.86 KLKB1 (0.43) KLKB1
SCHEMBL21368373 0.82 KLKB1 (0.52) KLKB1
SCHEMBL20713625 0.82 GABRA1 (0.42) KLKB1
SCHEMBL21355518 0.80 KLKB1 (0.54) KLKB1
SCHEMBL21355660 0.79 KLKB1 (0.39) KLKB1
SCHEMBL20705232 0.79 KLKB1 (0.38) KLKB1
SCHEMBL20713756 0.78 KLKB1 (0.38) KLKB1
Hydrochloric Acid SCHEMBL21355328 0.78 KLKB1 (0.38) KLKB1
Hydrochloric Acid SCHEMBL21355106 0.78 KLKB1 (0.38) KLKB1
SCHEMBL21355378 0.76 KLKB1 (0.37) 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-2019178129-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-09-19 WO disclosed