SCHEMBL27419831

SCHEMBL27419831

COC(=O)C1C/C=C\C(c2ccccc2)C(NC(=O)OC(C)(C)C)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL27419842 0.90 MEN1 (0.46) KMT2AMEN1
SCHEMBL27419994 0.80 KDM1A (0.44) KDM1AMAOBNFKB1NFKB2RELA
SCHEMBL27419818 0.76 GAA (0.48) KDM1ANFKB1NFKB2RELAEPHX2
SCHEMBL27419914 0.73 GAA (0.44) NFKB1NFKB2RELAEPHX2GAA
SCHEMBL27419900 0.71 MEN1 (0.42) KDM1AMAOBNFKB1NFKB2RELA
SCHEMBL27419889 0.71 MEN1 (0.42) KDM1AMAOBNFKB1NFKB2RELA
SCHEMBL10802832 0.69 GAA (0.46) NFKB1NFKB2RELAEPHX2GAA
SCHEMBL10721583 0.69 GAA (0.46) NFKB1NFKB2RELAEPHX2GAA
SCHEMBL10721576 0.69 GAA (0.46) NFKB1NFKB2RELAEPHX2GAA
SCHEMBL27419986 0.68 GAA (0.46) KDM1AMAOBNFKB1NFKB2RELA

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-2024092256-A2 PEPTIDE-ANTISENSE OLIGONUCLEOTIDES AND THEIR USE FOR TREATMENT OF NEURODEGENERATIVE DISORDERS EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-05-02 — — WO disclosed
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