SCHEMBL28594358

SCHEMBL28594358

N=C(N)Nc1ccc2cc(C(=O)NC3CCC(N)CC3)n(Cc3cccc4ccccc34)c2c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.41
▸ F2 P00734 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ SMYD3 Q9H7B4 3/20 0.39

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
SCHEMBL25015961 1.00 F10 (0.41) F10F2CNR2SMYD3
SCHEMBL25017123 0.88 F10 (0.49) F10F2CNR2
SCHEMBL25017106 0.88 F10 (0.49) F10F2CNR2
SCHEMBL25016195 0.85 F10 (0.45) F10F2CNR2SMYD3
SCHEMBL25016287 0.85 F10 (0.45) F10F2CNR2SMYD3
SCHEMBL28575239 0.84 F10 (0.42) F10CNR2SMYD3
SCHEMBL25016065 0.84 F10 (0.42) F10CNR2SMYD3
SCHEMBL25016765 0.84 F10 (0.41) F10F2CNR2SMYD3
SCHEMBL25016072 0.83 F10 (0.46) F10F2CNR2SMYD3
SCHEMBL28588282 0.83 F10 (0.46) F10F2CNR2SMYD3

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-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
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