SCHEMBL28722889

SCHEMBL28722889

CC1(C)O[C@@H]2[C@@H](CO)OC(c3cnn(C(N)=S)c3N)[C@@H]2O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39
▸ PI4K2A Q9BTU6 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL22601506 1.00 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL10149447 0.91 PI4KA (0.31) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24500009 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL867877 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29444520 0.73 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL867416 0.73 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL15605871 0.67 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL22601413 0.67 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24500415 0.67 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL28718776 0.67 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1

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-114025771-A Glycerol-mannose-heptose ADP derivatives for modulating immune response 上海药苑生物科技有限公司 2022-02-08 — — CN disclosed
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