SCHEMBL24420115

SCHEMBL24420115

CC(=O)OCc1cn(I)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.38
CYP2C9 P11712 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLA P06280 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
SCHEMBL14438657 0.83 ALDH1A1 (0.46) KDM4EHSD17B10ALDH1A1KMT2ACYP2C9
SCHEMBL27057530 0.80 KDM4E (0.44) KDM4EHSD17B10ALDH1A1KMT2ACYP2C9
SCHEMBL25824412 0.79 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1KMT2ACYP2C9
SCHEMBL19841641 0.76 GRIN2D (0.39) KMT2ACYP2C9MAPTCYP1A2CYP2C19
SCHEMBL23240427 0.74 GRIA1 (0.41) HSD17B10ALDH1A1KMT2ACYP2C9MAPT
SCHEMBL14438658 0.74 ALDH1A1 (0.44) KDM4EHSD17B10ALDH1A1KMT2ACYP2C9
SCHEMBL2028863 0.69 KDM4E (0.48) KDM4EHSD17B10ALDH1A1KMT2AGAA
SCHEMBL22289091 0.67 TK1 (0.70) CYP1A2LMNANPSR1
SCHEMBL3293016 0.65 ALDH1A1 (0.52) KDM4EHSD17B10ALDH1A1CYP1A2CYP2C19
SCHEMBL23897613 0.65 MAPK1 (0.51) ALDH1A1HPGDNPSR1

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
WO-2023220440-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 WO disclosed
WO-2022099159-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2022-05-12 WO disclosed