SCHEMBL28578396

SCHEMBL28578396

CCOC(=N)c1ccc2cc(C(=O)NC3CCC(NC(=N)N)CC3)n(Cc3ccc(Oc4ccccc4)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 9/20 0.48
▸ PRSS1 P07477 8/20 0.45
▸ ST14 Q9Y5Y6 5/20 0.45
▸ PRSS2 P07478 4/20 0.45
▸ PRSS3 P35030 4/20 0.45
▸ PLG P00747 2/20 0.45
▸ F2 P00734 8/20 0.44
▸ DRD4 P21917 2/20 0.41
▸ CCR3 P51677 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40
▸ NPC1 O15118 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
SCHEMBL28578395 1.00 F10 (0.48) F10PRSS1ST14PRSS2PRSS3
SCHEMBL28573604 0.92 SMYD3 (0.47) F10PRSS1ST14PRSS2PRSS3
SCHEMBL28573606 0.92 SMYD3 (0.47) F10PRSS1ST14PRSS2PRSS3
SCHEMBL25016086 0.91 F2 (0.48) F10PRSS1ST14PRSS2PRSS3
SCHEMBL28575219 0.91 F2 (0.48) F10PRSS1ST14PRSS2PRSS3
SCHEMBL25017363 0.85 ST14 (0.55) F10PRSS1ST14PRSS2PRSS3
SCHEMBL25017931 0.84 F2 (0.53) F10PRSS1ST14PRSS2PRSS3
SCHEMBL31689670 0.84 F10 (0.45) F10PRSS1ST14PRSS2PRSS3
SCHEMBL28583287 0.84 CCR9 (0.46) F10PRSS1ST14PRSS2PRSS3
SCHEMBL28583288 0.84 CCR9 (0.46) F10PRSS1ST14PRSS2PRSS3

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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