SCHEMBL21769854

SCHEMBL21769854

Cc1ccc(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CCSCC2)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL21769573 0.91 POLB (0.39) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL17923453 0.90 MAPT (0.35) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL21769855 0.90 MEN1 (0.39) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL17923449 0.89 SMN1; SMN2 (0.36) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL21769740 0.89 L3MBTL1 (0.33) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL17923455 0.88 MAPT (0.37) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL21769874 0.88 MAPT (0.38) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL21769731 0.87 KMT2A (0.40) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL21769885 0.86 POLB (0.37) ALDH1A1GAAMAPTTDP1POLB
SCHEMBL6011837 0.85 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1LMNAMAPT

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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