SCHEMBL27917874

SCHEMBL27917874

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 4/20 0.36
DPYD Q12882 4/20 0.36
ALDH1A1 P00352 3/20 0.36
ATAD2 Q6PL18 1/20 0.36
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
HTT P42858 1/20 0.36
HBB P68871 1/20 0.36
PMP22 Q01453 1/20 0.36
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.33
CPB1 P15086 1/20 0.33
CPB2 Q96IY4 1/20 0.33
MEN1 O00255 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
SCHEMBL1546530 0.85 GAA (0.41) GAALMNASMN1; SMN2MAPTDPYD
SCHEMBL103606 0.75 GAA (0.45) GAALMNASMN1; SMN2MAPTDPYD
SCHEMBL7598527 0.74 HTR2A (0.45) GAALMNASMN1; SMN2MAPTDPYD
SCHEMBL28699194 0.74 GAA (0.44) GAALMNASMN1; SMN2MAPTDPYD
SCHEMBL27500671 0.74 ALDH1A1 (0.44) GAALMNASMN1; SMN2MAPTDPYD
SCHEMBL22981334 0.73 GAA (0.40) GAALMNASMN1; SMN2MAPTDPYD
SCHEMBL16893950 0.72 GAA (0.54) GAALMNASMN1; SMN2MAPTDPYD
SCHEMBL18640389 0.70 GAA (0.44) GAALMNASMN1; SMN2MAPTDPYD
SCHEMBL109259 0.70 GAA (0.40) GAALMNASMN1; SMN2MAPTDPYD
SCHEMBL19668130 0.70 GAA (0.40) GAALMNASMN1; SMN2MAPTDPYD

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-103298475-A Design of oligonucleotide analogs as therapeutic agents SPRING BANK PHARMACEUTICALS INC 2013-09-11 CN disclosed