SCHEMBL28645751

SCHEMBL28645751

NCCCCNC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
TGM2 P21980 1/20 0.48
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 2/20 0.45
SIRT3 Q9NTG7 2/20 0.45
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL13622431 1.00 HTT (0.50) HTTKEAP1NFE2L2TGM2CPB1
SCHEMBL989685 0.92 TGM2 (0.55) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL13622435 0.91 LMNA (0.49) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL8039590 0.89 HTT (0.52) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL14628582 0.88 HTT (0.64) HTTKEAP1NFE2L2TGM2CPB1
SCHEMBL14598314 0.88 HTT (0.64) HTTKEAP1NFE2L2TGM2CPB1
SCHEMBL7318682 0.88 HTT (0.64) HTTKEAP1NFE2L2TGM2CPB1
SCHEMBL7319378 0.87 HTT (0.62) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL7858088 0.87 CCR6 (0.50) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL8029846 0.87 HTT (0.62) HTTKEAP1NFE2L2TGM2LMNA

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
CN-113423877-A Mutant tRNAs for codon expansion 中外制药株式会社 2021-09-21 CN disclosed