SCHEMBL31067461

SCHEMBL31067461

N=C(OC(N)=S)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(NCC3CC3)c3ccccc3)ccc2F)c1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.84

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
SCHEMBL17064981 0.91 KLKB1 (1.00) KLKB1
SCHEMBL31744211 0.91 KLKB1 (1.00) KLKB1
SCHEMBL29825797 0.91 KLKB1 (0.90) KLKB1
SCHEMBL18605069 0.91 KLKB1 (0.90) KLKB1
SCHEMBL18605002 0.89 KLKB1 (0.82) KLKB1
SCHEMBL18604940 0.89 KLKB1 (0.84) KLKB1
SCHEMBL30415020 0.88 KLKB1 (0.85) KLKB1
SCHEMBL18604648 0.88 KLKB1 (0.85) KLKB1
SCHEMBL18630485 0.86 KLKB1 (0.78) KLKB1
SCHEMBL23119638 0.85 KLKB1 (0.77) 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
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed