SCHEMBL21769886

SCHEMBL21769886

Cc1cc(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 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HDAC1 Q13547 5/20 0.36
▸ HDAC8 Q9BY41 5/20 0.36
▸ HDAC6 Q9UBN7 5/20 0.36
▸ HDAC5 Q9UQL6 5/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CETP P11597 4/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ ABL1 P00519 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
SCHEMBL21769887 0.93 HDAC1 (0.36) POLBTDP1HDAC1HDAC8HDAC6
SCHEMBL2239362 0.93 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC5L3MBTL1
Amenamevir SCHEMBL2238614 0.93 HDAC1 (0.37) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769877 0.91 MAPT (0.41) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL2242794 0.91 POLB (0.36) POLBHDAC1HDAC8HDAC6HDAC5
SCHEMBL21769878 0.89 MAPT (0.39) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL3557373 0.89 MAPT (0.36) TDP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL21769885 0.89 POLB (0.37) POLBTDP1ALDH1A1MAPTCETP
SCHEMBL21769881 0.88 ALDH1A1 (0.39) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL21769567 0.88 HDAC1 (0.38) POLBHDAC1HDAC8HDAC6HDAC5

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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