SCHEMBL28961405

SCHEMBL28961405

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 10/20 0.46
▸ F10 P00742 6/20 0.44
▸ EPHX2 P34913 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ CCR2 P41597 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
SCHEMBL28961404 1.00 SMYD3 (0.46) SMYD3F10EPHX2NR1H4F2
SCHEMBL28575296 0.91 SMYD3 (0.45) SMYD3F10EPHX2F2
SCHEMBL28575297 0.91 SMYD3 (0.45) SMYD3F10EPHX2F2
SCHEMBL28573808 0.90 MAPT (0.47) SMYD3F10F2
SCHEMBL28573811 0.90 MAPT (0.47) SMYD3F10F2
SCHEMBL28594051 0.86 F10 (0.47) F10
SCHEMBL25016626 0.86 F2 (0.48) SMYD3F10F2
SCHEMBL31689657 0.86 F2 (0.48) SMYD3F10F2
SCHEMBL31689670 0.84 F10 (0.45) SMYD3F10F2
SCHEMBL28582805 0.84 F10 (0.45) F10

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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