SCHEMBL25823753

SCHEMBL25823753

CCc1cn(C(C)(C)C)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.40
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.35
DAO P14920 4/20 0.34
HPGD P15428 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 3/20 0.31
CYP2C19 P33261 3/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL18871232 0.85 GRIA1 (0.38) TK1MAPK1DAOALDH1A1CYP2C9
SCHEMBL21283135 0.85 MAPK1 (0.33) TK1SMN1; SMN2MAPK1DAOTDP1
SCHEMBL25823740 0.78 DAO (0.37) TK1DAOHPGDKDM4EALDH1A1
SCHEMBL27057530 0.77 KDM4E (0.44) TK1KDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL9910660 0.75 MAPK1 (0.44) TK1MAPK1HPGDALDH1A1
SCHEMBL35260 0.75 SMN1; SMN2 (0.42) TK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23957853 0.73 MAPK1 (0.43) TK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22873334 0.73 TNKS (0.33) DAOTDP1
SCHEMBL12724348 0.73 SMN1; SMN2 (0.43) SMN1; SMN2HPGDKDM4ECYP1A2KMT2A
SCHEMBL22817647 0.73 DAO (0.32) SMN1; SMN2DAOTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20230220384-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-07-13 US disclosed