SCHEMBL27715435

SCHEMBL27715435

Cc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.66
KDM4E B2RXH2 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
MAPT P10636 1/20 0.66
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.60
BLM P54132 2/20 0.60
LMNA P02545 2/20 0.60
GMNN O75496 1/20 0.60
NFKB1 P19838 1/20 0.60
DNMT1 P26358 1/20 0.60
THPO P40225 1/20 0.60
MTOR P42345 1/20 0.60
RAB9A P51151 1/20 0.60
HBB P68871 1/20 0.60
PMP22 Q01453 1/20 0.60
ADORA2A P29274 3/20 0.57
ADORA2B P29275 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ADORA3 P0DMS8 2/20 0.57

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
Acadesine SCHEMBL5053863 0.80 KDM4E (1.00) TP53KDM4ETDP1MAPTALDH1A1
Acadesine SCHEMBL14520658 0.80 KDM4E (1.00) TP53KDM4ETDP1MAPTALDH1A1
Acadesine SCHEMBL7141001 0.80 KDM4E (1.00) TP53KDM4ETDP1MAPTALDH1A1
Acadesine SCHEMBL6113798 0.80 KDM4E (1.00) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL6934040 0.80 TP53 (0.62) TP53KDM4ETDP1MAPTALDH1A1
Acadesine SCHEMBL10017743 0.80 KDM4E (1.00) TP53KDM4ETDP1MAPTALDH1A1
Acadesine SCHEMBL2394079 0.80 KDM4E (1.00) TP53KDM4ETDP1MAPTALDH1A1
Acadesine SCHEMBL2631614 0.80 KDM4E (1.00) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL9619994 0.80 TP53 (0.62) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL4738954 0.80 KDM4E (0.81) TP53KDM4ETDP1MAPTALDH1A1

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-101243102-A Improvements to analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation GIULIANI INT LTD (IE) 2008-08-13 CN disclosed