SCHEMBL21822847

SCHEMBL21822847

NC(=O)c1cccc(Cn2c(C(=O)N3CCC(F)C3)cc3ccc(C(N)=NO)cc32)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLA2G10 O15496 1/20 0.45
▸ F10 P00742 15/20 0.44
▸ F2 P00734 4/20 0.39
▸ DPP4 P27487 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ PRSS1 P07477 2/20 0.37
▸ KDM1A O60341 1/20 0.36

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
SCHEMBL21822846 1.00 PLA2G10 (0.45) PLA2G10F10F2DPP4DPP8
SCHEMBL21822172 0.90 F10 (0.57) PLA2G10F10F2PRSS1
SCHEMBL25016310 0.90 F10 (0.57) PLA2G10F10F2PRSS1
SCHEMBL28585854 0.89 PLA2G10 (0.42) PLA2G10F10F2DPP4DPP8
SCHEMBL28579790 0.84 PLA2G10 (0.45) PLA2G10F10F2KDM1A
SCHEMBL25017885 0.80 F10 (0.49) F10F2PRSS1
SCHEMBL25016830 0.77 F10 (0.53) PLA2G10F10F2
SCHEMBL25015875 0.76 F10 (0.43) F10F2PRSS1
SCHEMBL25016835 0.74 ST14 (0.44) F10F2
SCHEMBL25015740 0.74 F10 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860636-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF Disc Medicine, Inc. (US) 2021-08-11 — — EP disclosed
CN-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
WO-2020072580-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. (US) 2020-04-09 — — WO disclosed
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