SCHEMBL28573728

SCHEMBL28573728

CCOC(=N)c1ccc2cc(C(=O)N[C@H]3CC[C@H](N)CC3)n(Cc3ccc(NC(=O)CCN)cc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.50
▸ ST14 Q9Y5Y6 1/20 0.50
▸ F10 P00742 14/20 0.43
▸ SMYD3 Q9H7B4 3/20 0.41
▸ MAPT P10636 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38

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
SCHEMBL28573730 1.00 F2 (0.50) F2ST14F10SMYD3MAPT
SCHEMBL28580200 0.90 F10 (0.42) F2ST14F10SMYD3MAPT
SCHEMBL25017867 0.90 F2 (0.57) F2ST14F10PRSS1
SCHEMBL28593712 0.89 F10 (0.41) F2ST14F10SMYD3MAPT
SCHEMBL31689670 0.87 F10 (0.45) F2ST14F10SMYD3PRSS1
SCHEMBL28572149 0.87 F10 (0.45) F2ST14F10SMYD3PRSS1
SCHEMBL28572148 0.87 F10 (0.45) F2ST14F10SMYD3PRSS1
SCHEMBL28573606 0.85 SMYD3 (0.47) F2ST14F10SMYD3PRSS1
SCHEMBL28573604 0.85 SMYD3 (0.47) F2ST14F10SMYD3PRSS1
SCHEMBL28579688 0.84 F2 (0.48) F2ST14F10SMYD3PRSS1

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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