SCHEMBL21769855

SCHEMBL21769855

Cc1ccc(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CCS(=O)(=O)CC2)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HDAC1 Q13547 7/20 0.37
▸ HDAC8 Q9BY41 7/20 0.37
▸ HDAC6 Q9UBN7 7/20 0.37
▸ HDAC5 Q9UQL6 5/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NR1I2 O75469 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 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
SCHEMBL21769881 0.93 ALDH1A1 (0.39) MEN1KMT2AALDH1A1HDAC1HDAC8
SCHEMBL21769572 0.91 POLB (0.38) MEN1KMT2AALDH1A1HDAC1HDAC8
SCHEMBL2237823 0.91 HDAC1 (0.39) MEN1KMT2AALDH1A1HDAC1HDAC8
SCHEMBL21769854 0.90 KMT2A (0.39) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL2237688 0.90 HDAC1 (0.39) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL21769738 0.89 HDAC1 (0.39) MEN1KMT2AALDH1A1HDAC1HDAC8
SCHEMBL3557373 0.88 MAPT (0.36) MEN1KMT2AALDH1A1HDAC1HDAC8
SCHEMBL21769877 0.88 MAPT (0.41) MEN1KMT2AALDH1A1HDAC1HDAC8
SCHEMBL21769743 0.87 HDAC1 (0.38) ALDH1A1HDAC1HDAC8HDAC6HDAC5
SCHEMBL21769730 0.87 HDAC1 (0.42) MEN1KMT2AALDH1A1HDAC1HDAC8

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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