SCHEMBL21769887

SCHEMBL21769887

CCCc1cc(C)c(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CCS(=O)(=O)CC2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.36
▸ HDAC8 Q9BY41 5/20 0.36
▸ HDAC6 Q9UBN7 5/20 0.36
▸ HDAC5 Q9UQL6 5/20 0.36
▸ SLC5A1 P13866 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ F11 P03951 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ WNT3A P56704 1/20 0.31
▸ MTOR P42345 2/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL21769886 0.93 POLB (0.36) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL2239362 0.90 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC5L3MBTL1
Amenamevir SCHEMBL2238614 0.90 HDAC1 (0.37) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL2242794 0.86 POLB (0.36) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769881 0.85 ALDH1A1 (0.39) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769877 0.85 MAPT (0.41) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769567 0.85 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769855 0.85 MEN1 (0.39) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769743 0.85 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769878 0.85 MAPT (0.39) HDAC1HDAC8HDAC6HDAC5L3MBTL1

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-2020038812-A1 NEW PROCESS FOR THE PREPARATION OF AMENAMEVIR RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-02-27 — — WO disclosed
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