SCHEMBL21769850

SCHEMBL21769850

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ ALDH1A1 P00352 11/20 0.34
▸ KDM4E B2RXH2 8/20 0.34
▸ NPC1 O15118 7/20 0.34
▸ RAB9A P51151 6/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 8/20 0.33
▸ HPGD P15428 5/20 0.33
▸ GAA P10253 3/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ PTK2 Q05397 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
SCHEMBL21769853 0.92 POLB (0.38) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL21769851 0.90 HDAC1 (0.35) HCRTR1HCRTR2CYP3A4ALDH1A1KDM4E
SCHEMBL6011885 0.87 NCOA3 (0.31) HCRTR1HCRTR2CYP3A4ALDH1A1MAPT
SCHEMBL17923455 0.87 MAPT (0.37) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL21769571 0.86 SLC6A9 (0.36) MAPTSLC6A9
SCHEMBL21769885 0.86 POLB (0.37) HCRTR1HCRTR2ALDH1A1KDM4ENPC1
SCHEMBL21769874 0.86 MAPT (0.38) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL21769740 0.85 L3MBTL1 (0.33) HCRTR1HCRTR2CYP3A4ALDH1A1KDM4E
SCHEMBL17923453 0.85 MAPT (0.35) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL21769731 0.85 KMT2A (0.40) HCRTR1HCRTR2ALDH1A1KDM4ENPC1

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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