SCHEMBL28809157

SCHEMBL28809157

O=C=C(O)c1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
DPYD Q12882 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ATAD2 Q6PL18 1/20 0.42
CYP19A1 P11511 1/20 0.42
TSHR P16473 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
HTT P42858 1/20 0.42
HBB P68871 1/20 0.42
PMP22 Q01453 1/20 0.42
KDM3B Q7LBC6 1/20 0.40
CTSL P07711 1/20 0.36
KDM4C Q9H3R0 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
Water SCHEMBL4487821 0.75 KDM3B (0.62) GAADPYDALDH1A1LMNAMAPT
SCHEMBL119748 0.73 GAA (0.48) GAADPYDALDH1A1LMNAMAPT
SCHEMBL190958 0.71 GAA (0.50) GAADPYDALDH1A1LMNAMAPT
SCHEMBL6524027 0.71 GAA (0.50) GAADPYDALDH1A1LMNAMAPT
SCHEMBL1210894 0.71 GAA (0.50) GAADPYDALDH1A1LMNAMAPT
SCHEMBL891086 0.71 GAA (0.45) GAADPYDALDH1A1LMNAMAPT
Dimethylamine SCHEMBL1524840 0.71 KDM3B (0.56) GAADPYDALDH1A1LMNAMAPT
SCHEMBL26185882 0.71 DPYD (0.50) GAADPYDALDH1A1LMNAMAPT
SCHEMBL8775721 0.69 LMNA (0.48) GAADPYDALDH1A1LMNAMAPT
SCHEMBL16703602 0.69 GAA (0.48) GAADPYDALDH1A1LMNAMAPT

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-105056226-A Compositions and methods for the treatment of infections and tumors UNIV EMORY 2015-11-18 CN disclosed
CN-103536915-A Compositions and methods for the treatment of infections and tumors UNIV EMORY 2014-01-29 CN disclosed