SCHEMBL8914334

SCHEMBL8914334

CC(C)C(=O)C(O)[C@H]1O[C@@H](n2cnc(C(N)=O)c2N)[C@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
ATIC P31939 2/20 0.52
FBP1 P09467 1/20 0.52
ALDH1A1 P00352 2/20 0.45
BLM P54132 2/20 0.45
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
STING1 Q86WV6 2/20 0.38
LMNA P02545 2/20 0.37
TYMP P19971 1/20 0.36
AHCY P23526 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
HSP90B1 P14625 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL8912373 0.86 KDM4E (0.57) KDM4ETDP1TP53MAPTATIC
SCHEMBL8913186 0.84 KDM4E (0.57) KDM4ETDP1TP53MAPTATIC
SCHEMBL4880307 0.81 KDM4E (0.59) KDM4ETDP1TP53MAPTATIC
SCHEMBL938225 0.81 ATIC (0.60) KDM4ETDP1TP53MAPTATIC
SCHEMBL13190653 0.77 KDM4E (0.47) KDM4ETDP1TP53MAPTATIC
SCHEMBL14547198 0.76 KDM4E (0.79) KDM4ETDP1TP53MAPTATIC
SCHEMBL13190676 0.76 KDM4E (0.47) KDM4ETDP1TP53MAPTATIC
Acadesine SCHEMBL10017743 0.74 KDM4E (1.00) KDM4ETDP1TP53MAPTATIC
Acadesine SCHEMBL2394079 0.74 KDM4E (1.00) KDM4ETDP1TP53MAPTATIC
Acadesine SCHEMBL7141001 0.74 KDM4E (1.00) KDM4ETDP1TP53MAPTATIC

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-5658889-A ADMINISTERING 5-AMINO-4-IMIDAZLECARBOXAMIDE RIBOSIDE WHICH BINDS ADENOSINE MONOPHOSPHATE SITE OF FRUCTOSE-1,6-DIPHOSPHATASE GENSIA PHARMACEUTICALS, INC. (US) 1997-08-19 US disclosed