SCHEMBL29905958

SCHEMBL29905958

CC(C)(C)OC(=O)N1CCCC(c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccsc3)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 10/20 0.53
▸ KLKB1 P03952 10/20 0.50

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
SCHEMBL18039903 0.93 F2 (0.57) F2KLKB1
SCHEMBL20506271 0.92 F2 (0.55) F2KLKB1
SCHEMBL29905889 0.87 F2 (0.68) F2KLKB1
SCHEMBL29906052 0.85 F2 (0.69) F2KLKB1
SCHEMBL29905866 0.84 F2 (0.70) F2KLKB1
SCHEMBL29905882 0.84 F2 (0.58) F2KLKB1
SCHEMBL29905317 0.83 F2 (0.64) F2KLKB1
SCHEMBL29905867 0.83 F2 (0.57) F2KLKB1
SCHEMBL29905386 0.82 F2 (0.60) F2KLKB1
SCHEMBL18040060 0.82 KLKB1 (0.57) F2KLKB1

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-3261639-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INT CORPORATION (US) 2022-08-24 — — EP disclosed
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