SCHEMBL21769879

SCHEMBL21769879

Cc1ccc(C)c(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CC[S+]([O-])CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ GAA P10253 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 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
SCHEMBL21769884 0.88 USP2 (0.36) GAAKMT2ATP53SMN1; SMN2NPC1
SCHEMBL21769878 0.88 MAPT (0.39) MAPTGAAALDH1A1HPGDKMT2A
SCHEMBL21769574 0.87 HCRTR1 (0.31) —
SCHEMBL22055760 0.86 NPC1 (0.36) MAPTKMT2ASMN1; SMN2NPSR1KDM4E
SCHEMBL21769853 0.82 POLB (0.38) MAPTGAAALDH1A1HPGDKMT2A
SCHEMBL2242794 0.81 POLB (0.36) MAPTGAAALDH1A1HPGDKMT2A
SCHEMBL21769850 0.79 HCRTR1 (0.35) MAPTGAAALDH1A1HPGDKMT2A
SCHEMBL21769851 0.78 HDAC1 (0.35) MAPTGAAALDH1A1HPGDKMT2A
SCHEMBL21769566 0.78 KMT2A (0.37) MAPTGAAALDH1A1HPGDKMT2A
SCHEMBL21769567 0.78 HDAC1 (0.38) MAPTGAAALDH1A1HPGDKMT2A

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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