SCHEMBL21769740

SCHEMBL21769740

Cc1cc(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CCSCC2)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GRIN2B Q13224 5/20 0.33
▸ SLC6A9 P48067 1/20 0.32
▸ SLC6A5 Q9Y345 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ATM Q13315 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
SCHEMBL17923453 0.94 MAPT (0.35) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL17923449 0.91 SMN1; SMN2 (0.36) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL21769738 0.90 HDAC1 (0.39) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL21769573 0.89 POLB (0.39) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL21769854 0.89 KMT2A (0.39) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL17923455 0.88 MAPT (0.37) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL21769571 0.88 SLC6A9 (0.36) MAPTSLC6A9SLC6A5
SCHEMBL21769874 0.88 MAPT (0.38) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL21769731 0.87 KMT2A (0.40) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL21769885 0.86 POLB (0.37) MAPTNPSR1KDM4EALDH1A1HCRTR1

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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