SCHEMBL4776904

SCHEMBL4776904

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C=O)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 15/20 1.00
HIF1A Q16665 1/20 0.72
TMEM97 Q5BJF2 1/20 0.72
SIGMAR1 Q99720 1/20 0.72
ADORA2A P29274 2/20 0.68
ADORA2B P29275 2/20 0.68
HSP90B1 P14625 1/20 0.68
DPP4 P27487 1/20 0.66
MEN1 O00255 1/20 0.66
SLC28A1 O00337 1/20 0.66
MAP3K7 O43318 1/20 0.66
SLC28A2 O43868 1/20 0.66
GAPDH P04406 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
MAPK1 P28482 1/20 0.66
ADORA1 P30542 1/20 0.66
STAT6 P42226 1/20 0.66
PI4KA P42356 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66

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
SCHEMBL536023 0.88 AHCY (0.79) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL3366600 0.88 AHCY (0.79) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4150492 0.87 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL14304652 0.87 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL9282755 0.87 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4150498 0.87 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4868236 0.84 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
5'-Carboxy Adenosine SCHEMBL2117314 0.84 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1ADORA2A
5'-Carboxy Adenosine SCHEMBL29376409 0.84 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1ADORA2A
5'-Carboxy Adenosine SCHEMBL2117257 0.84 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118773083-A Composite microecological preparation for improving exercise capacity and body function and application thereof 内蒙古农业大学 2024-10-15 CN disclosed
US-20220128556-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-04-28 US disclosed
EP-3947743-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-02-09 EP disclosed
WO-2020201457-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2020-10-08 WO disclosed
WO-2008027098-A2 BIOSENSOR FOR MEASUREMENT OF SPECIES IN A BODY FLUID ESA BIOSCIENCES, INC. (US) 2008-03-06 WO disclosed
US-20070281321-A1 BIOSENSOR FOR MEASUREMENT OF SPECIES IN A BODY FLUID ESA BIOSCIENCES, INC. (US) 2007-12-06 US disclosed