SCHEMBL20713625

SCHEMBL20713625

CCc1ncn2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
KLKB1 P03952 17/20 0.40
MAT2A P31153 1/20 0.37
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36

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
SCHEMBL20705232 0.83 KLKB1 (0.38) KLKB1
SCHEMBL20713756 0.82 KLKB1 (0.38) KLKB1
SCHEMBL21367965 0.82 KLKB1 (0.44) KLKB1
Hydrochloric Acid SCHEMBL21355106 0.81 KLKB1 (0.38) KLKB1
Hydrochloric Acid SCHEMBL21355328 0.81 KLKB1 (0.38) KLKB1
SCHEMBL21893418 0.81 KDM4E (0.37) GABRA1GABRG2GABRB3GABRA5KLKB1
SCHEMBL21355378 0.80 KLKB1 (0.37) KLKB1
SCHEMBL21368385 0.80 KLKB1 (0.43) KLKB1
SCHEMBL23088689 0.79 KLKB1 (0.43) KLKB1
Hydrochloric Acid SCHEMBL21355223 0.79 KLKB1 (0.36) 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 2 patents. 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
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed