SCHEMBL29324563

SCHEMBL29324563

COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1I

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.59

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
SCHEMBL17784852 0.84 KLKB1 (0.67) KLKB1
SCHEMBL21985437 0.84 KLKB1 (0.67) KLKB1
SCHEMBL17784845 0.83 KLKB1 (0.78) KLKB1
SCHEMBL29365582 0.83 KLKB1 (0.70) KLKB1
Bicarbonate SCHEMBL17785352 0.80 KLKB1 (0.73) KLKB1
SCHEMBL29467360 0.78 KLKB1 (0.50) KLKB1
SCHEMBL28337074 0.75 KLKB1 (0.57) KLKB1
SCHEMBL17785295 0.75 KLKB1 (1.00) KLKB1
SCHEMBL17785327 0.75 KLKB1 (1.00) KLKB1
SCHEMBL17785269 0.75 KLKB1 (1.00) 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
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed