SCHEMBL21769730

SCHEMBL21769730

Cc1cccc(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CCS(=O)(=O)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.42
▸ HDAC8 Q9BY41 8/20 0.42
▸ HDAC6 Q9UBN7 8/20 0.42
▸ HDAC5 Q9UQL6 6/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PKM P14618 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL21769877 0.93 MAPT (0.41) HDAC1HDAC8HDAC6HDAC5MAPT
SCHEMBL3557373 0.90 MAPT (0.36) HDAC1HDAC8HDAC6HDAC5NPSR1
SCHEMBL21769731 0.89 KMT2A (0.40) NPSR1USP2MAPTKMT2AKDM4E
SCHEMBL21769881 0.89 ALDH1A1 (0.39) HDAC1HDAC8HDAC6HDAC5USP2
SCHEMBL2237688 0.88 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC5MAPT
SCHEMBL21769572 0.88 POLB (0.38) HDAC1HDAC8HDAC6HDAC5USP2
SCHEMBL21769886 0.87 POLB (0.36) HDAC1HDAC8HDAC6HDAC5NPSR1
Amenamevir SCHEMBL2238614 0.87 HDAC1 (0.37) HDAC1HDAC8HDAC6HDAC5NPSR1
SCHEMBL21769738 0.87 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC5NPSR1
SCHEMBL21769855 0.87 MEN1 (0.39) HDAC1HDAC8HDAC6HDAC5MAPT

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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