SCHEMBL31438586

SCHEMBL31438586

O=c1[nH]c(=O)c2[nH]c(CO)nc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ADORA2B P29275 2/20 0.45
GDA Q9Y2T3 2/20 0.40
ACHE P22303 1/20 0.40
XDH P47989 3/20 0.39
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RPS6KA3 P51812 1/20 0.34
TYMP P19971 3/20 0.34
ENPP1 P22413 1/20 0.34
ADORA2A P29274 2/20 0.33
BLM P54132 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7530553 0.85 MAPT (0.46) MAPTADORA2BGDAACHEXDH
SCHEMBL3399435 0.81 MAPT (0.48) MAPTADORA2BGDAACHEXDH
SCHEMBL5515639 0.81 ADORA2B (0.49) MAPTADORA2BGDAACHEXDH
SCHEMBL9430030 0.80 XDH (0.43) MAPTADORA2BGDAACHEXDH
SCHEMBL9649792 0.80 XDH (0.43) MAPTADORA2BGDAACHEXDH
SCHEMBL9430422 0.80 XDH (0.43) MAPTADORA2BGDAACHEXDH
SCHEMBL9430825 0.80 XDH (0.43) MAPTADORA2BGDAACHEXDH
SCHEMBL1150739 0.78 XDH (0.47) MAPTADORA2BGDAACHEXDH
SCHEMBL8700368 0.78 MAPT (0.42) MAPTADORA2BGDAACHEXDH
SCHEMBL60159 0.77 TSHR (0.46) MAPTADORA2BGDAACHEXDH

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-119684613-A Nanocomposite capable of adjusting synaptic plasticity and preparation method thereof 南方医科大学口腔医院 2025-03-25 CN claimed
CN-119684613-A Nanocomposite capable of adjusting synaptic plasticity and preparation method thereof 南方医科大学口腔医院 2025-03-25 CN disclosed