SCHEMBL22480174

SCHEMBL22480174

CC(=O)c1cnn2c(C)cc(N)nc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.56
ALDH1A1 P00352 10/20 0.44
MAPT P10636 3/20 0.44
GBA1 P04062 2/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 6/20 0.42
HSD17B10 Q99714 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PLEC Q15149 1/20 0.41
CYP1A1 P04798 1/20 0.41
GAA P10253 2/20 0.40
TYK2 P29597 1/20 0.40
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL21238857 0.84 KDM4E (0.79) KDM4EALDH1A1MAPTGBA1POLB
SCHEMBL8196129 0.78 KDM4E (0.52) KDM4EALDH1A1MAPTGBA1POLB
SCHEMBL8183946 0.75 KDM4E (0.49) KDM4EALDH1A1MAPTGBA1POLB
SCHEMBL17739788 0.73 KDM4E (0.77) KDM4EALDH1A1MAPTGBA1POLB
SCHEMBL1422926 0.72 KDM4E (1.00) KDM4EALDH1A1MAPTGBA1POLB
SCHEMBL15760593 0.72 ALDH1A1 (0.47) KDM4EALDH1A1MAPTGBA1POLB
SCHEMBL9300782 0.70 KDM4E (0.71) KDM4EALDH1A1MAPTGBA1POLB
SCHEMBL17732306 0.70 KDM4E (0.71) KDM4EALDH1A1MAPTGBA1POLB
SCHEMBL2930949 0.70 KDM4E (0.77) KDM4EALDH1A1MAPTGBA1POLB
SCHEMBL1006755 0.70 KDM4E (0.70) KDM4EALDH1A1MAPTGBA1POLB

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-2020198379-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. (US) 2020-10-01 WO disclosed