SCHEMBL25488668

SCHEMBL25488668

C/C(=N\NC=O)c1ccc(OCCCC(=O)ON2C(=O)CCCC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ FURIN P09958 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ THRA P10827 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL20197999 0.84 MAPT (0.43) MEN1KMT2AL3MBTL1RAD52FURIN
SCHEMBL18037724 0.81 FURIN (0.44) MEN1KMT2AL3MBTL1GAAFURIN
SCHEMBL14616553 0.80 MAPT (0.44) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL17231868 0.78 MAPT (0.42) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL12679101 0.78 MAPT (0.42) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL18037721 0.78 MAPT (0.42) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL13897310 0.77 L3MBTL1 (0.43) MEN1KMT2AL3MBTL1GAAMAPT
SCHEMBL21098957 0.77 L3MBTL1 (0.43) MEN1KMT2AL3MBTL1GAAMAPT
SCHEMBL14616552 0.75 MAPT (0.39) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL15290542 0.74 MAPT (0.39) MEN1KMT2AGAAMAPTSMN1; SMN2

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
WO-2023088236-A1 BICYCLIC PEPTIDE LIGAND OF MT1-MMP AND CONJUGATE THEREOF 海思科医药集团股份有限公司 2023-05-25 — — WO disclosed
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