SCHEMBL28292955

SCHEMBL28292955

CN(C)CCCNCO[SH](=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
PAOX Q6QHF9 1/20 0.42
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DPP7 Q9UHL4 2/20 0.34
TSHR P16473 1/20 0.33
DNM1 Q05193 1/20 0.33
ALOX15 P16050 2/20 0.32
TERT O14746 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PRMT3 O60678 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30

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
SCHEMBL27865717 0.77 ADH1B (0.44) ALDH1A1TSHRCA12CA2
SCHEMBL19677015 0.74 TDP1 (0.52) TDP1PAOXKDM4EALDH1A1MEN1
SCHEMBL27405199 0.72
SCHEMBL15859 0.72 TDP1 (0.75) TDP1PAOXKDM4EALDH1A1MEN1
SCHEMBL27585652 0.72 ALDH1A1 (0.41) KDM4EALDH1A1TSHRDNM1
SCHEMBL26967080 0.70 TDP1 (0.71) TDP1PAOXKDM4EALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL7104676 0.70 TDP1 (0.71) TDP1PAOXKDM4EALDH1A1MEN1
SCHEMBL5129514 0.70 TDP1 (0.71) TDP1PAOXKDM4EALDH1A1MEN1
SCHEMBL5131831 0.70 TDP1 (0.71) TDP1PAOXKDM4EALDH1A1MEN1
SCHEMBL27686879 0.70 ALDH1A1 (0.46) TDP1KDM4EALDH1A1MEN1KMT2A

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-109746055-A Anion exchange resin based on sulfonamide 戴安公司 2019-05-14 CN disclosed