SCHEMBL21769738

SCHEMBL21769738

Cc1cc(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CCS(=O)(=O)CC2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.39
▸ HDAC8 Q9BY41 9/20 0.39
▸ HDAC6 Q9UBN7 9/20 0.39
▸ HDAC5 Q9UQL6 7/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ F11 P03951 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ GRIN2B Q13224 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SLC6A9 P48067 1/20 0.32
▸ SLC6A5 Q9Y345 1/20 0.32

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
SCHEMBL2237823 0.94 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769881 0.93 ALDH1A1 (0.39) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769743 0.92 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL2237688 0.91 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769740 0.90 L3MBTL1 (0.33) L3MBTL1MAPTMEN1LMNATP53
SCHEMBL21769572 0.90 POLB (0.38) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769855 0.89 MEN1 (0.39) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL3557373 0.88 MAPT (0.36) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL2239362 0.88 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769877 0.88 MAPT (0.41) 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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