SCHEMBL7575520

SCHEMBL7575520

Nc1ncnc2nc(Cc3ccco3)[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.60
PI4KA P42356 6/20 0.49
PI4K2B Q8TCG2 6/20 0.49
PI4K2A Q9BTU6 6/20 0.49
PI4KB Q9UBF8 6/20 0.49
ADORA2A P29274 3/20 0.44
ADORA1 P30542 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA2B P29275 2/20 0.42
NUDT1 P36639 2/20 0.41

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
SCHEMBL870861 0.80 PI4KA (0.62) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL3364549 0.76 PNP (0.53) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL4964307 0.75 PNP (1.00) PNPADORA2AADORA2B
SCHEMBL6684462 0.75 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL11696100 0.74 PNP (0.54) PNPADORA2AADORA1ALDH1A1ADORA2B
SCHEMBL18757974 0.71 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL27260776 0.69 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBADORA2A
Edetic Acid SCHEMBL7770900 0.69 PI4KA (0.48) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL6941740 0.69 PNP (0.45) PNPADORA2ALMNAALDH1A1ADORA2B
SCHEMBL669407 0.68 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106376619-A Rooting agent containing ferric citrate and preparation method thereof 山东胜伟园林科技有限公司 2017-02-08 CN disclosed
EP-0855375-B9 Use of adenine derivatives for systemically enhancing the migration and distribution of nutrients in plants ENGRAIS COMPOSES MINERAUX ET A (FR) 2002-09-25 EP disclosed
EP-0855375-B1 Use of adenine derivatives for systemically enhancing the migration and distribution of nutrients in plants ENGRAIS COMPOSES MINERAUX ET A (FR) 2001-09-19 EP disclosed
EP-0855375-A2 Use of adenine derivatives for systemically enhancing the migration and distribution of nutrients in plants SOCIETE D'ENGRAIS COMPOSES MINERAUX ET AMENDEMENTS (S.E.C.M.A.) (FR) 1998-07-29 EP disclosed