SCHEMBL28216385

SCHEMBL28216385

NC(=S)NCC(=O)NCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.37
ALDH1A1 P00352 5/20 0.36
EGLN1 Q9GZT9 2/20 0.35
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HIF1A Q16665 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
FAAH O00519 5/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.33
PTPN1 P18031 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL2820358 0.91
SCHEMBL27978496 0.88
SCHEMBL27386877 0.81 ALDH1A1 (0.38) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL8491423 0.77 CTH (0.41) ABATALDH1A1EGLN1ITGB1ITGA5
SCHEMBL8489931 0.77 CTH (0.41) ABATALDH1A1EGLN1ITGB1ITGA5
SCHEMBL23471380 0.76 MEN1 (0.48) ALDH1A1EGLN1MAPTTDP1LMNA
SCHEMBL391787 0.76 GLRA1 (0.43) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL6674893 0.76 GLRA1 (0.43) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL1402291 0.76 GLRA1 (0.43) ALDH1A1EGLN1ITGB1ITGA5MAPT
Glycylglycylglycine SCHEMBL98565 0.76 GLRA1 (0.43) ALDH1A1EGLN1ITGB1ITGA5MAPT

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
CN-108025574-B Thermal recording medium 三光株式会社 2019-04-16 CN disclosed
CN-108025574-A Thermal recording medium 三光株式会社 2018-05-11 CN disclosed