SCHEMBL17520530

SCHEMBL17520530

CCN(C(C)=O)C(=O)N1CCc2c([nH]c3ccccc23)C1C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.59
▸ MAPT P10636 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ GAA P10253 1/20 0.53
▸ BCHE P06276 1/20 0.52
▸ ACHE P22303 1/20 0.52
▸ POLB P06746 3/20 0.51
▸ ABCG2 Q9UNQ0 3/20 0.51
▸ ABCB1 P08183 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ KIF11 P52732 1/20 0.48
▸ TP53 P04637 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46

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
SCHEMBL17520529 0.85 LMNA (0.62) LMNAMAPTMEN1KMT2AGAA
SCHEMBL9401163 0.82 LMNA (0.70) LMNAMAPTMEN1KMT2AGAA
SCHEMBL28470333 0.80 LMNA (0.74) LMNAMAPTMEN1KMT2AGAA
SCHEMBL29630294 0.78 LMNA (0.61) LMNAMAPTMEN1KMT2AGAA
SCHEMBL17520528 0.77 LMNA (0.73) LMNAMAPTMEN1KMT2AGAA
SCHEMBL8372051 0.77 LMNA (0.69) LMNAMAPTMEN1KMT2AGAA
SCHEMBL28464367 0.74 LMNA (0.62) LMNAMAPTMEN1KMT2AGAA
SCHEMBL11112953 0.74 MEN1 (0.64) LMNAMAPTMEN1KMT2AGAA
SCHEMBL29630338 0.73 LMNA (0.61) LMNABCHEACHEPOLBABCG2
SCHEMBL28464327 0.73 LMNA (0.58) LMNAMAPTMEN1KMT2AGAA

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-2016020369-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2016-02-11 — — WO disclosed
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