SCHEMBL28575219

SCHEMBL28575219

N=C(N)NC1CCC(NC(=O)c2cc3ccc(C(=N)N)cc3n2Cc2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 10/20 0.48
▸ ST14 Q9Y5Y6 8/20 0.48
▸ PRSS1 P07477 9/20 0.47
▸ PRSS2 P07478 6/20 0.47
▸ PRSS3 P35030 6/20 0.47
▸ F10 P00742 11/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ PLG P00747 1/20 0.45

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
SCHEMBL25016086 1.00 F2 (0.48) F2ST14PRSS1PRSS2PRSS3
SCHEMBL25017363 0.94 ST14 (0.55) F2ST14PRSS1PRSS2PRSS3
SCHEMBL25017931 0.93 F2 (0.53) F2ST14PRSS1PRSS2PRSS3
SCHEMBL25016809 0.92 F2 (0.49) F2ST14PRSS1PRSS2PRSS3
SCHEMBL25017932 0.92 F2 (0.49) F2ST14PRSS1PRSS2PRSS3
SCHEMBL28578396 0.91 F10 (0.48) F2ST14PRSS1PRSS2PRSS3
SCHEMBL28578395 0.91 F10 (0.48) F2ST14PRSS1PRSS2PRSS3
SCHEMBL28583288 0.87 CCR9 (0.46) F2ST14PRSS1PRSS2PRSS3
SCHEMBL28583287 0.87 CCR9 (0.46) F2ST14PRSS1PRSS2PRSS3
SCHEMBL25017844 0.87 ST14 (0.61) F2ST14PRSS1PRSS2PRSS3

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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