SCHEMBL21769878

SCHEMBL21769878

Cc1ccc(C)c(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
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC8 Q9BY41 4/20 0.36
▸ HDAC6 Q9UBN7 4/20 0.36
▸ HDAC5 Q9UQL6 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL2242794 0.93 POLB (0.36) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL21769567 0.91 HDAC1 (0.38) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL21769851 0.90 HDAC1 (0.35) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL21769886 0.89 POLB (0.36) MAPTALDH1A1GAAHDAC1HDAC8
SCHEMBL3557373 0.88 MAPT (0.36) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL21769879 0.88 MAPT (0.38) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL2242314 0.88 ALDH1A1 (0.38) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL21769881 0.88 ALDH1A1 (0.39) MAPTALDH1A1GAAKMT2ANPC1
SCHEMBL21769877 0.87 MAPT (0.41) MAPTALDH1A1HPGDKMT2AKDM4E
SCHEMBL2241378 0.87 HDAC1 (0.36) ALDH1A1HDAC1HDAC8HDAC6HDAC5

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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