SCHEMBL9851820

SCHEMBL9851820

CCCCCO[C@@H]1C[C@@H](CO)O[C@H]1n1ncc2c(=O)[nH]cnc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
MAPK1 P28482 1/20 0.37
STING1 Q86WV6 1/20 0.35
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
TLR7 Q9NYK1 3/20 0.33
ADORA2A P29274 3/20 0.33
ADORA2B P29275 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL9851793 0.91 ALDH1A1 (0.37) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9851764 0.87 PRKCA (0.42) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9851757 0.85 ALDH1A1 (0.40) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9851837 0.83 ALDH1A1 (0.35) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9851855 0.82 NT5E (0.37) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9851714 0.80 ALDH1A1 (0.43) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9851795 0.80 PRKCA (0.37)
SCHEMBL9851821 0.77 ALDH1A1 (0.37) ALDH1A1LMNASTING1HTTMAPT
SCHEMBL9851863 0.76 LPAR1 (0.36) ALDH1A1STING1
SCHEMBL9851703 0.74 MAPT (0.44) ALDH1A1LMNASTING1MAPTMEN1

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
EP-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP disclosed