SCHEMBL9548610

SCHEMBL9548610

Nc1ncnc2c1ncn2[C@H]1CC[C@@](C=NO)(CO)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4K2A Q9BTU6 6/20 0.49
ADA P00813 1/20 0.49
PI4KA P42356 5/20 0.48
PI4K2B Q8TCG2 5/20 0.48
PI4KB Q9UBF8 5/20 0.48
TP53 P04637 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
APEX1 P27695 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
ADCY1 Q08828 1/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
ADORA2A P29274 7/20 0.46
AHCY P23526 3/20 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
SCHEMBL9548599 1.00 PI4K2A (0.49) PI4K2AADAPI4KAPI4K2BPI4KB
SCHEMBL9548794 0.87 AHCY (0.43) PI4K2ATP53ADORA2AAHCYADORA3
SCHEMBL9548786 0.82 ALDH1A1 (0.54) MAPK1ALDH1A1ADORA3
SCHEMBL9548595 0.81 ADA (0.56) PI4K2AADAPI4KAPI4K2BPI4KB
SCHEMBL9548850 0.79 ADORA3 (0.49) HSD17B10BLMADORA3
SCHEMBL9548837 0.79 ADORA3 (0.49) HSD17B10BLMADORA3
SCHEMBL24695057 0.79 ADA (0.54) PI4K2AADAPI4KAPI4K2BPI4KB
SCHEMBL9153368 0.77 ADA (0.51) PI4K2AADAPI4KAPI4K2BPI4KB
SCHEMBL12060727 0.77 ADA (0.51) PI4K2AADAPI4KAPI4K2BPI4KB
SCHEMBL9153371 0.77 ADA (0.51) PI4K2AADAPI4KAPI4K2BPI4KB

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-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed