SCHEMBL6834210

SCHEMBL6834210

CC(COC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)COc4ccccc4)ncnc32)C[C@@H]1O)c1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.43
ADORA3 P0DMS8 3/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
P2RY12 Q9H244 2/20 0.37
P2RY1 P47900 2/20 0.35
P2RY2 P41231 1/20 0.35
P2RY6 Q15077 1/20 0.35
ENPP1 P22413 1/20 0.35

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
SCHEMBL6830892 0.93 SLC29A1 (0.43) SLC29A1ADORA3ADORA2BADORA1P2RY12
SCHEMBL6835937 0.93 SLC29A1 (0.43) SLC29A1ADORA3ADORA2BADORA1P2RY12
SCHEMBL6892237 0.93 SLC29A1 (0.45) SLC29A1ADORA3ADORA2BADORA1P2RY12
SCHEMBL8380398 0.81 SLC29A1 (0.49) SLC29A1ADORA3ADORA2BADORA1P2RY12
SCHEMBL6892233 0.80 TAS1R3 (0.41) SLC29A1ADORA3ADORA2BADORA1P2RY2
SCHEMBL7040477 0.79 SLC29A1 (0.57) SLC29A1ADORA3P2RY12
SCHEMBL6890238 0.77 POLB (0.39) P2RY2P2RY6
SCHEMBL6896046 0.76 SLC29A1 (0.41) SLC29A1ADORA3ADORA2BADORA1
SCHEMBL7035979 0.76 SLC29A1 (0.57) SLC29A1ADORA3ADORA1
SCHEMBL9446435 0.76 SLC29A1 (0.57) SLC29A1ADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750335-B2 NUCLEOSIDE FOR USE IN THE GENERATION OF PREFERENTIAL OLIGONUCEOTIDES NIGU CHEMIE GMBH (DE) 2004-06-15 US disclosed
EP-1224198-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2003-04-23 EP disclosed