SCHEMBL4540133

SCHEMBL4540133

COc1ccc(CNc2ncnc3c2ncn3[C@H]2C[C@H](O)[C@@H](CO)O2)cc1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.73
HIF1A Q16665 1/20 0.57

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
SCHEMBL19583017 1.00 SLC29A1 (0.73) SLC29A1HIF1A
SCHEMBL19583003 0.91 SLC29A1 (0.65) SLC29A1HIF1A
SCHEMBL20626371 0.90 SLC29A1 (0.76) SLC29A1HIF1A
SCHEMBL12579168 0.90 SLC29A1 (0.76) SLC29A1HIF1A
SCHEMBL14713453 0.90 SLC29A1 (0.76) SLC29A1HIF1A
SCHEMBL19583019 0.90 SLC29A1 (0.64) SLC29A1
SCHEMBL19582971 0.89 SLC29A1 (0.77) SLC29A1HIF1A
SCHEMBL19582969 0.89 SLC29A1 (0.67) SLC29A1HIF1A
SCHEMBL19583065 0.88 SLC29A1 (0.76) SLC29A1HIF1A
SCHEMBL13467483 0.88 SLC29A1 (0.76) SLC29A1HIF1A

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-2498774-A1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES Academia Sinica (TW) 2012-09-19 EP disclosed
WO-2012064340-A1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES ACADEMIA SINICA (TW) 2012-05-18 WO disclosed