SCHEMBL21769566

SCHEMBL21769566

Cc1ccccc1N(CC(=O)Nc1ccc(-c2ncon2)cc1)C(=O)C1CCSCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.37
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ POLB P06746 3/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ NOTUM Q6P988 2/20 0.35
▸ LIMK1 P53667 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HCRTR1 O43613 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
SCHEMBL3892309 0.90 NPC1 (0.37) KMT2AKDM4ENPC1MAPTRAB9A
SCHEMBL21769853 0.90 POLB (0.38) KMT2AGAAKDM4ENPC1ALDH1A1
SCHEMBL21769567 0.90 HDAC1 (0.38) KMT2AGAAKDM4ENPC1ALDH1A1
SCHEMBL21769885 0.87 POLB (0.37) GAAKDM4ENPC1ALDH1A1MAPT
SCHEMBL6011885 0.87 NCOA3 (0.31) GAAALDH1A1MAPTHPGDADORA2A
SCHEMBL17923455 0.86 MAPT (0.37) KMT2AGAAKDM4ENPC1ALDH1A1
SCHEMBL21769571 0.85 SLC6A9 (0.36) MAPT
SCHEMBL21769874 0.85 MAPT (0.38) KMT2AGAAKDM4ENPC1ALDH1A1
SCHEMBL21769850 0.85 HCRTR1 (0.35) KMT2AGAAKDM4ENPC1ALDH1A1
SCHEMBL21769731 0.85 KMT2A (0.40) KMT2AKDM4ENPC1ALDH1A1MAPT

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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