SCHEMBL28573604

SCHEMBL28573604

CCOC(=N)c1ccc2cc(C(=O)N[C@H]3CC[C@H](NC(=O)CCN)CC3)n(Cc3ccc(Oc4ccccc4)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 5/20 0.47
▸ F10 P00742 5/20 0.44
▸ ST14 Q9Y5Y6 3/20 0.41
▸ PRSS1 P07477 3/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ PLG P00747 1/20 0.41
▸ F2 P00734 3/20 0.41
▸ DRD4 P21917 2/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CCR3 P51677 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
SCHEMBL28573606 1.00 SMYD3 (0.47) SMYD3F10ST14PRSS1PRSS2
SCHEMBL28578395 0.92 F10 (0.48) F10ST14PRSS1PRSS2PRSS3
SCHEMBL28578396 0.92 F10 (0.48) F10ST14PRSS1PRSS2PRSS3
SCHEMBL25017932 0.91 F2 (0.49) SMYD3F10ST14PRSS1PRSS2
SCHEMBL25016809 0.91 F2 (0.49) SMYD3F10ST14PRSS1PRSS2
SCHEMBL28573728 0.85 F2 (0.50) SMYD3F10ST14PRSS1F2
SCHEMBL28573730 0.85 F2 (0.50) SMYD3F10ST14PRSS1F2
SCHEMBL25016086 0.82 F2 (0.48) F10ST14PRSS1PRSS2PRSS3
SCHEMBL31689670 0.82 F10 (0.45) SMYD3F10ST14PRSS1PRSS2
SCHEMBL28575219 0.82 F2 (0.48) F10ST14PRSS1PRSS2PRSS3

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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