SCHEMBL3989534

SCHEMBL3989534

OC[C@H]1O[C@@H](N2CN(c3cccc(F)c3)c3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.44
ADK P55263 5/20 0.43
HIF1A Q16665 2/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
ADORA2B P29275 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT6 P42226 1/20 0.38

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
SCHEMBL453483 0.77 MAPK1 (0.46) SLC29A1ADKHIF1ATP53ADORA2A
SCHEMBL453482 0.77 MAPK1 (0.46) SLC29A1ADKHIF1ATP53ADORA2A
SCHEMBL6702778 0.72 HIF1A (0.42) SLC29A1ADKHIF1ATP53ADORA2A
SCHEMBL8805090 0.71 CDK5 (0.41) SLC29A1ADKHIF1ATP53ADORA2A
SCHEMBL3841527 0.71 DOT1L (0.50) SLC29A1ADKHIF1ATP53ADORA2A
SCHEMBL27767961 0.71 DOT1L (0.50) SLC29A1ADKHIF1ATP53ADORA2A
SCHEMBL7744286 0.71 ALDH1A1 (0.39) SLC29A1HIF1ATP53ADORA2AADORA1
SCHEMBL9243746 0.71 ADORA1 (0.39) ADKHIF1ATP53ADORA1CYP1A2
SCHEMBL29267975 0.70 SLC29A1 (0.42) SLC29A1HIF1ATP53ADORA2AADORA3
SCHEMBL3989523 0.70 SLC29A1 (0.45) SLC29A1ADKHIF1ATP53ADORA2A

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
EP-2061316-A2 AZOLE NUCLEOSIDES AND USE AS INHIBITORS OF RNA AND DNA VARIAL POLYMERASES Southern Research Institute (US) 2009-05-27 EP claimed
WO-2008067002-A2 AZOLE NUCLEOSIDES AND USE AS INHIBITORS OF RNA AND DNA VARIAL POLYMERASES SOUTHERN RESEARCH INSTITUTE (US) 2008-06-05 WO claimed