SCHEMBL4383154

SCHEMBL4383154

[N-]=[N+]=Nn1c(N)nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
SLC29A1 Q99808 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38
ADORA2A P29274 3/20 0.38
ADORA3 P0DMS8 3/20 0.38
NT5E P21589 1/20 0.38
ADORA2B P29275 1/20 0.37
ADORA1 P30542 2/20 0.37
PNP P00491 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3A Q14432 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL646777 0.83 CYP1A2 (0.46) CYP1A2SLC29A1HIF1AADORA2AADORA3
SCHEMBL3654018 0.83 PNP (0.56) HIF1APNPLMNATP53HTT
SCHEMBL2057069 0.83 ADORA3 (0.57) SLC29A1HIF1AADORA2AADORA3NT5E
SCHEMBL16555219 0.83 ADORA3 (0.57) SLC29A1HIF1AADORA2AADORA3NT5E
SCHEMBL6692360 0.83 CYP1A2 (0.60) CYP1A2ALDH1A1HIF1AADORA2AADORA3
SCHEMBL6858256 0.82 CYP1A2 (0.45) CYP1A2SLC29A1HIF1AADORA2AADORA3
SCHEMBL4370984 0.82 CYP1A2 (0.45) CYP1A2SLC29A1NT5EPNPLMNA
SCHEMBL98907 0.75 ADORA3 (0.53) ADORA3NT5EPNPPDE3A
SCHEMBL13833321 0.75 ADORA3 (0.53) ADORA3NT5EPNPPDE3A
SCHEMBL18759056 0.75 ADORA3 (0.53) ADORA3NT5EPNPPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010659-A2 KITS AND METHODS FOR GENERATING 5' CAPPED RNA Epicentre Technologies (US) 2009-01-07 EP claimed
WO-2007120863-A2 KITS AND METHODS FOR GENERATING 5' CAPPED RNA EPICENTRE TECHNOLOGIES (US) 2007-10-25 WO claimed
EP-0350287-A2 Lipid derivatives of antiviral nucleosides, liposomal incorporation and method of use NeXstar Pharmaceuticals, Inc. (US) 1990-01-10 EP claimed