SCHEMBL21769567

SCHEMBL21769567

Cc1ccccc1N(CC(=O)Nc1ccc(-c2ncon2)cc1)C(=O)C1CCS(=O)(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC8 Q9BY41 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC5 Q9UQL6 4/20 0.38
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NOTUM Q6P988 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34

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
SCHEMBL2242314 0.93 ALDH1A1 (0.38) HDAC1HDAC8HDAC6HDAC5KMT2A
Amenamevir SCHEMBL2238614 0.91 HDAC1 (0.37) HDAC1HDAC8HDAC6HDAC5KMT2A
SCHEMBL21769878 0.91 MAPT (0.39) HDAC1HDAC8HDAC6HDAC5KMT2A
SCHEMBL2242794 0.91 POLB (0.36) HDAC1HDAC8HDAC6HDAC5POLB
SCHEMBL21769566 0.90 KMT2A (0.37) HDAC1HDAC6POLBKMT2AGAA
SCHEMBL21769886 0.88 POLB (0.36) HDAC1HDAC8HDAC6HDAC5POLB
SCHEMBL2241378 0.88 HDAC1 (0.36) HDAC1HDAC8HDAC6HDAC5ALDH1A1
SCHEMBL3557373 0.87 MAPT (0.36) HDAC1HDAC8HDAC6HDAC5KMT2A
SCHEMBL2239362 0.86 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769881 0.86 ALDH1A1 (0.39) HDAC1HDAC8HDAC6HDAC5KMT2A

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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