SCHEMBL31339149

SCHEMBL31339149

CN(C)C=CC(=O)c1cccc(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
HTT P42858 4/20 0.61
ALDH1A1 P00352 3/20 0.61
GAA P10253 2/20 0.61
HPGD P15428 2/20 0.61
RECQL P46063 2/20 0.58
RAB9A P51151 2/20 0.56
P4HB P07237 7/20 0.53
GSK3B P49841 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL99552 1.00 MAPT (0.61) MAPTHTTALDH1A1GAAHPGD
SCHEMBL30440633 1.00 MAPT (0.61) MAPTHTTALDH1A1GAAHPGD
SCHEMBL99553 1.00 MAPT (0.61) MAPTHTTALDH1A1GAAHPGD
SCHEMBL8837777 0.86 ALDH1A1 (0.47) MAPTHTTALDH1A1GAAHPGD
Dimethylformamide SCHEMBL8837774 0.84 MAPT (0.45) MAPTHTTALDH1A1GAAHPGD
SCHEMBL5946453 0.84 MAPT (0.77) MAPTHTTALDH1A1GAAHPGD
SCHEMBL1873928 0.82 NR1H3 (0.51) MAPTHTTALDH1A1GAAHPGD
SCHEMBL1873930 0.82 NR1H3 (0.51) MAPTHTTALDH1A1GAAHPGD
SCHEMBL2162706 0.81 MAPT (0.62) MAPTHTTALDH1A1GAAHPGD
SCHEMBL2162703 0.81 MAPT (0.62) MAPTHTTALDH1A1GAAHPGD

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-119031913-A Purine and methods of use thereof 奇尼塔公司 2024-11-26 CN disclosed