SCHEMBL21769876

SCHEMBL21769876

CCCCc1cccc(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CCS(=O)(=O)CC2)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.34
▸ HDAC8 Q9BY41 5/20 0.34
▸ HDAC6 Q9UBN7 5/20 0.34
▸ HDAC5 Q9UQL6 5/20 0.34
▸ POLB P06746 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ SLC5A1 P13866 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ PPARD Q03181 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ LMNA P02545 1/20 0.30

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 0.88 ALDH1A1 (0.38) HDAC1HDAC8HDAC6HDAC5ALDH1A1
SCHEMBL21769567 0.85 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC5POLB
Amenamevir SCHEMBL2238614 0.83 HDAC1 (0.37) HDAC1HDAC8HDAC6HDAC5ALDH1A1
SCHEMBL2241378 0.83 HDAC1 (0.36) HDAC1HDAC8HDAC6HDAC5ALDH1A1
SCHEMBL21769887 0.82 HDAC1 (0.36) HDAC1HDAC8HDAC6HDAC5POLB
SCHEMBL21769730 0.81 HDAC1 (0.42) HDAC1HDAC8HDAC6HDAC5POLB
SCHEMBL2242794 0.81 POLB (0.36) HDAC1HDAC8HDAC6HDAC5POLB
SCHEMBL21769878 0.81 MAPT (0.39) HDAC1HDAC8HDAC6HDAC5ALDH1A1
SCHEMBL3557373 0.81 MAPT (0.36) HDAC1HDAC8HDAC6HDAC5ALDH1A1
SCHEMBL21769877 0.80 MAPT (0.41) HDAC1HDAC8HDAC6HDAC5ALDH1A1

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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