SCHEMBL21769874

SCHEMBL21769874

Cc1cc(C)cc(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CCSCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ NPC1 O15118 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 6/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL21769731 0.92 KMT2A (0.40) MAPTNPC1KDM4EALDH1A1RAB9A
SCHEMBL17923455 0.92 MAPT (0.37) MAPTNPC1KDM4EALDH1A1RAB9A
SCHEMBL21769885 0.91 POLB (0.37) MAPTNPC1KDM4EALDH1A1RAB9A
SCHEMBL21769877 0.89 MAPT (0.41) MAPTNPC1KDM4EALDH1A1RAB9A
SCHEMBL17923449 0.88 SMN1; SMN2 (0.36) MAPTNPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21769573 0.88 POLB (0.39) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21769854 0.88 KMT2A (0.39) MAPTNPC1KDM4EALDH1A1RAB9A
SCHEMBL17923453 0.88 MAPT (0.35) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL21769740 0.88 L3MBTL1 (0.33) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL21769853 0.87 POLB (0.38) MAPTNPC1KDM4EALDH1A1RAB9A

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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