SCHEMBL28593712

SCHEMBL28593712

CCOC(=N)c1ccc2cc(C(=O)NC3CC=CCC3)n(Cc3ccc(NC(=O)CCN)cc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.41
▸ F2 P00734 4/20 0.38
▸ ST14 Q9Y5Y6 1/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL25016210 0.90 F2 (0.44) F10F2ST14PRSS1
SCHEMBL25016673 0.90 F2 (0.44) F10F2ST14PRSS1
SCHEMBL28573730 0.89 F2 (0.50) F10F2ST14PRSS1MAPT
SCHEMBL28573728 0.89 F2 (0.50) F10F2ST14PRSS1MAPT
SCHEMBL28580200 0.87 F10 (0.42) F10F2ST14PRSS1MAPT
SCHEMBL28573606 0.80 SMYD3 (0.47) F10F2ST14PRSS1SMYD3
SCHEMBL28573604 0.80 SMYD3 (0.47) F10F2ST14PRSS1SMYD3
SCHEMBL21822135 0.79 ITGB3 (0.40) F10F2PRSS1
SCHEMBL25017867 0.79 F2 (0.57) F10F2ST14PRSS1
SCHEMBL25017315 0.78 F10 (0.45) F10F2PRSS1

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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