SCHEMBL7054035

SCHEMBL7054035

OC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 6/20 1.00
▸ ADORA3 P0DMS8 5/20 0.67
▸ TP53 P04637 2/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ STAT6 P42226 1/20 0.67
▸ ADORA2A P29274 5/20 0.65
▸ NFKB1 P19838 3/20 0.65
▸ TSHR P16473 3/20 0.65
▸ ADORA1 P30542 3/20 0.65
▸ THPO P40225 2/20 0.65
▸ ADORA2B P29275 1/20 0.65
▸ LMNA P02545 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ PMP22 Q01453 2/20 0.64
▸ GLA P06280 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ NPY1R P25929 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ NPY2R P49146 1/20 0.64

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
SCHEMBL7054042 1.00 SLC29A1 (1.00) SLC29A1ADORA3TP53TDP1STAT6
SCHEMBL8651510 0.86 SLC29A1 (0.76) SLC29A1ADORA3TP53TDP1STAT6
SCHEMBL8651518 0.86 SLC29A1 (0.76) SLC29A1ADORA3TP53TDP1STAT6
SCHEMBL21145007 0.85 SLC29A1 (0.74) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL8819300 0.84 ADORA3 (0.74) SLC29A1ADORA3TP53TDP1ADORA2A
SCHEMBL8819317 0.84 ADORA3 (0.74) SLC29A1ADORA3TP53TDP1ADORA2A
SCHEMBL9141461 0.84 SLC29A1 (0.72) SLC29A1ADORA3TP53STAT6ADORA2A
SCHEMBL17824407 0.83 SLC29A1 (0.73) SLC29A1ADORA3TP53TDP1STAT6
SCHEMBL27183447 0.83 SLC29A1 (0.73) SLC29A1ADORA3TP53TDP1STAT6
SCHEMBL9142042 0.82 SLC29A1 (0.70) SLC29A1ADORA3STAT6ADORA2AADORA1

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-1303528-A1 ADENOSINE COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 2003-04-23 — — EP disclosed
WO-2002004474-A1 ADENOSINE COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME NIKKEN CHEMICALS CO. LTD. (JP) 2002-01-17 — — WO disclosed
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