SCHEMBL28575297

SCHEMBL28575297

COC(=O)c1ccc(Cn2c(C(=O)NC3CCC(N)CC3)cc3ccc(NC(=O)O)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 8/20 0.45
▸ F10 P00742 7/20 0.43
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ F2 P00734 2/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ EPHX2 P34913 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
SCHEMBL28575296 1.00 SMYD3 (0.45) SMYD3F10MAPTHPGDF2
SCHEMBL28573811 0.93 MAPT (0.47) SMYD3F10MAPTF2PRSS1
SCHEMBL28573808 0.93 MAPT (0.47) SMYD3F10MAPTF2PRSS1
SCHEMBL28961405 0.91 SMYD3 (0.46) SMYD3F10F2EPHX2
SCHEMBL28961404 0.91 SMYD3 (0.46) SMYD3F10F2EPHX2
SCHEMBL32665959 0.86 F2 (0.51) F10F2PRSS1
SCHEMBL21822370 0.86 F2 (0.51) F10F2PRSS1
SCHEMBL28594051 0.85 F10 (0.47) F10
SCHEMBL28582805 0.82 F10 (0.45) F10
SCHEMBL28915335 0.81 F10 (0.43) 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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