SCHEMBL29139847

SCHEMBL29139847

FC(F)C(F)c1cc2c(Cl)ncnc2s1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.49
VCAM1 P19320 1/20 0.49
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL439142 0.79 SELE (0.56) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL30408264 0.79 SELE (0.56) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL7254304 0.71 SELE (0.40) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL6484704 0.69 SELE (0.56) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL30408920 0.69 SELE (0.56) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL654782 0.69 SELE (0.56) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL1368716 0.69 SELE (0.61) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL1604838 0.66 SELE (0.69) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL29737503 0.66 SELE (0.64) SELEVCAM1MEN1
SCHEMBL16031220 0.66 SELE (0.64) SELEVCAM1MEN1

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-111601807-B Exo-azaspiro inhibitors of MENIN-MLL interactions 詹森药业有限公司 2023-03-31 CN disclosed