SCHEMBL31695005

SCHEMBL31695005

O=C(O)C(O)C(O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.42
MAPT P10636 1/20 0.41
ACHE P22303 1/20 0.34
GDA Q9Y2T3 1/20 0.34
XDH P47989 3/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ENPP1 P22413 1/20 0.31

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
SCHEMBL1992130 0.73 MAPT (0.42) ADORA2BMAPTACHEGDAXDH
SCHEMBL30604637 0.73 MAPT (0.48) ADORA2BMAPTACHEGDAXDH
SCHEMBL31695004 0.72 GAA (0.38) ADORA2BMAPTXDH
SCHEMBL3085104 0.69 LMNA (0.52) ADORA2BMAPTACHEGDAXDH
SCHEMBL8750703 0.69 ADORA2B (0.49) ADORA2BMAPTXDHALDH1A1HSD17B10
SCHEMBL31695008 0.69 PNP (0.49) GDAXDHALDH1A1
SCHEMBL10868836 0.68 ADORA2B (0.34) ADORA2BMAPTXDH
SCHEMBL7801075 0.68 MAPT (0.43) ADORA2BMAPTACHEGDAXDH
SCHEMBL9430257 0.68 PDE3B (0.39) ADORA2BMAPTACHEGDAXDH
SCHEMBL2143500 0.67 MAPT (0.46) ADORA2BMAPTACHEGDAXDH

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
US-20250314666-A1 DIAGNOSIS AND TREATMENT OF AUTISM SPECTRUM DISORDERS BASED ON AMINE CONTAINING METABOTYPES STEMINA BIOMARKER DISCOVERY INC (US) 2025-10-09 US disclosed