SCHEMBL28580739

SCHEMBL28580739

CCOC(=N)c1ccc2cc(C(=O)N3CCC(CCN)CC3)n(Cc3cccc(NC(=O)CCN)c3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 15/20 0.44
▸ ST14 Q9Y5Y6 14/20 0.44
▸ PLG P00747 12/20 0.44
▸ F2 P00734 11/20 0.44
▸ PLAU P00749 10/20 0.44
▸ PRSS1 P07477 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ TMPRSS6 Q8IU80 1/20 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
SCHEMBL21822243 0.90 ST14 (0.53) F10ST14PLGF2PLAU
SCHEMBL25017360 0.87 F10 (0.55) F10ST14PLGF2PLAU
SCHEMBL25016835 0.86 ST14 (0.44) F10ST14PLGF2PLAU
SCHEMBL25016349 0.83 ST14 (0.45) F10ST14PLGF2PLAU
SCHEMBL25015872 0.83 F10 (0.51) F10ST14PLGF2PLAU
SCHEMBL25015878 0.83 F10 (0.44) F10ST14PLGF2PLAU
SCHEMBL21822622 0.80 PARP14 (0.43) F10ST14PLGF2PLAU
SCHEMBL21822620 0.80 PARP14 (0.43) F10ST14PLGF2PLAU
SCHEMBL25015875 0.80 F10 (0.43) F10ST14PLGF2PLAU
SCHEMBL25016360 0.78 F10 (0.48) F10ST14PLGF2PLAU

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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