SCHEMBL29940339

SCHEMBL29940339

[N-]=[N+]=NCc1cc(F)c2ncc(Cl)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.33

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
SCHEMBL29302752 1.00 KLKB1 (0.33) KLKB1
SCHEMBL29277999 0.89 KLKB1 (0.31) KLKB1
SCHEMBL17442547 0.77 KLKB1 (0.35) KLKB1
SCHEMBL29940462 0.76 KLKB1 (0.34) KLKB1
SCHEMBL17442573 0.76 KLKB1 (0.36) KLKB1
SCHEMBL29302757 0.76 KLKB1 (0.34) KLKB1
SCHEMBL21027918 0.74 KLKB1 (0.37) KLKB1
SCHEMBL21177281 0.73 SIRT1 (0.38) KLKB1
SCHEMBL19780120 0.72 KLKB1 (0.40) KLKB1
SCHEMBL19780593 0.71 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308229-A1 INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117396469-A Inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed
WO-2022197763-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed