SCHEMBL21769853

SCHEMBL21769853

Cc1ccc(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CCSCC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.36
▸ MAPT P10636 7/20 0.36
▸ HPGD P15428 5/20 0.36
▸ GAA P10253 3/20 0.36
▸ KDM4E B2RXH2 6/20 0.35
▸ NPC1 O15118 6/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CETP P11597 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
SCHEMBL21769850 0.92 HCRTR1 (0.35) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL21769885 0.91 POLB (0.37) POLBALDH1A1MAPTHPGDGAA
SCHEMBL21769566 0.90 KMT2A (0.37) POLBALDH1A1MAPTHPGDGAA
SCHEMBL2242794 0.89 POLB (0.36) POLBALDH1A1MAPTHPGDGAA
SCHEMBL17923455 0.88 MAPT (0.37) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL21769874 0.87 MAPT (0.38) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL6011885 0.87 NCOA3 (0.31) ALDH1A1MAPTHPGDGAA
SCHEMBL21769731 0.87 KMT2A (0.40) POLBALDH1A1MAPTHPGDKDM4E
SCHEMBL21769571 0.86 SLC6A9 (0.36) MAPT
SCHEMBL3892309 0.85 NPC1 (0.37) MAPTKDM4ENPC1RAB9ASMN1; SMN2

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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