SCHEMBL29655588

SCHEMBL29655588

NCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.77
KMT2A Q03164 12/20 0.77
MAPT P10636 6/20 0.77
L3MBTL1 Q9Y468 6/20 0.77
MAPK1 P28482 4/20 0.77
RAB9A P51151 2/20 0.77
NPC1 O15118 1/20 0.77
AVPR1A P37288 1/20 0.77
CRHBP P24387 2/20 0.67
CRHR2 Q13324 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
HTT P42858 6/20 0.57
LMNA P02545 5/20 0.57
USP2 O75604 4/20 0.57
TLR9 Q9NR96 2/20 0.57
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 3/20 0.56
TSHR P16473 2/20 0.56
CASP1 P29466 2/20 0.56

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
SCHEMBL28739194 1.00 MEN1 (0.77) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL28197565 0.89 HDAC6 (0.64) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL7732734 0.87 MEN1 (1.00) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL23373807 0.86 MEN1 (0.72) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL11485650 0.85 MEN1 (0.86) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL28198224 0.85 MEN1 (0.86) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL29582123 0.84 MEN1 (0.62) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL6311388 0.84 MEN1 (0.81) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL3816007 0.84 MEN1 (0.76) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL29580489 0.83 MEN1 (0.60) MEN1KMT2AMAPTL3MBTL1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114524854-B Glycosyl aromatic ring carbon glycoside derivative and preparation method and application thereof 中国农业大学 2023-05-26 CN disclosed
CN-114524854-A Glycosyl aromatic cyclic carbon glycoside derivative and preparation method and application thereof 中国农业大学 2022-05-24 CN disclosed