SCHEMBL21769877

SCHEMBL21769877

Cc1cc(C)cc(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CCS(=O)(=O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ HDAC1 Q13547 7/20 0.37
▸ HDAC8 Q9BY41 7/20 0.37
▸ HDAC6 Q9UBN7 7/20 0.37
▸ HDAC5 Q9UQL6 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ F11 P03951 1/20 0.33
▸ KLKB1 P03952 1/20 0.33

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
SCHEMBL21769730 0.93 HDAC1 (0.42) MAPTHDAC1HDAC8HDAC6HDAC5
SCHEMBL3557373 0.92 MAPT (0.36) MAPTHDAC1HDAC8HDAC6HDAC5
SCHEMBL21769886 0.91 POLB (0.36) MAPTHDAC1HDAC8HDAC6HDAC5
SCHEMBL21769743 0.91 HDAC1 (0.38) MAPTHDAC1HDAC8HDAC6HDAC5
SCHEMBL21769881 0.90 ALDH1A1 (0.39) MAPTHDAC1HDAC8HDAC6HDAC5
SCHEMBL21769874 0.89 MAPT (0.38) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL21769572 0.88 POLB (0.38) MAPTHDAC1HDAC8HDAC6HDAC5
SCHEMBL2237688 0.88 HDAC1 (0.39) MAPTHDAC1HDAC8HDAC6HDAC5
SCHEMBL21769738 0.88 HDAC1 (0.39) MAPTHDAC1HDAC8HDAC6HDAC5
SCHEMBL21769855 0.88 MEN1 (0.39) MAPTHDAC1HDAC8HDAC6HDAC5

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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