SCHEMBL31456786

SCHEMBL31456786

CC(C)(C)OC(=O)N1C[C@@](O)(c2ccccc2)C[C@@H]1C(=O)Nc1cc(C(CCC2CC2)(c2ccncc2)[S@+]([O-])C(C)(C)C)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 15/20 0.46
▸ F10 P00742 2/20 0.36
▸ BRAF P15056 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL31456810 0.89 KLKB1 (0.43) KLKB1BRAFKDR
SCHEMBL22683222 0.89 KLKB1 (0.50) KLKB1F10MEN1KMT2A
SCHEMBL21700374 0.89 KLKB1 (0.50) KLKB1F10MEN1KMT2A
SCHEMBL31456788 0.89 KLKB1 (0.50) KLKB1F10MEN1KMT2A
SCHEMBL24569877 0.88 KLKB1 (0.54) KLKB1F10
SCHEMBL29638925 0.85 KLKB1 (0.51) KLKB1F10MEN1KMT2A
SCHEMBL31456885 0.84 KLKB1 (0.55) KLKB1
SCHEMBL20584364 0.84 KLKB1 (0.46) KLKB1F10MEN1KMT2A
SCHEMBL20584591 0.82 KLKB1 (0.51) KLKB1F10
SCHEMBL20446625 0.82 KLKB1 (0.51) KLKB1F10

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-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 — — CN disclosed
Send feedback