SCHEMBL6890018

SCHEMBL6890018

OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.72
▸ SLC29A1 Q99808 2/20 0.72
▸ TP53 P04637 1/20 0.72
▸ TDP1 Q9NUW8 1/20 0.72
▸ DNPH1 O43598 1/20 0.61
▸ ADORA2A P29274 4/20 0.60
▸ ADORA1 P30542 4/20 0.60
▸ ADORA2B P29275 1/20 0.60
▸ NFKB1 P19838 1/20 0.59
▸ THPO P40225 1/20 0.59
▸ TSHR P16473 1/20 0.59

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
SCHEMBL6890685 0.86 ADORA3 (0.63) ADORA3SLC29A1TP53TDP1DNPH1
SCHEMBL6887666 0.85 ADORA3 (0.56) ADORA3SLC29A1TP53TDP1DNPH1
SCHEMBL9352988 0.84 ADORA3 (0.81) ADORA3SLC29A1TP53TDP1ADORA2A
SCHEMBL9352971 0.84 ADORA3 (0.81) ADORA3SLC29A1TP53TDP1ADORA2A
SCHEMBL7971570 0.84 ADORA3 (0.67) ADORA3SLC29A1TP53TDP1DNPH1
N6-Benzyladenosine SCHEMBL23982413 0.84 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL472635 0.84 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL472637 0.84 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL13966412 0.84 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL219438 0.84 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A

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-0956000-A4 SYNTHESIS OF GLYCOPHOSPHOLIPID AND PEPTIDE-PHOSPHOLIPID CONJUGATES AND USES THEREOF UNIV EMORY (US) 2004-06-09 — — EP disclosed
EP-0956000-A1 SYNTHESIS OF GLYCOPHOSPHOLIPID AND PEPTIDE-PHOSPHOLIPID CONJUGATES AND USES THEREOF EMORY UNIVERSITY (US) 1999-11-17 — — EP disclosed
WO-1998016198-A1 SYNTHESIS OF GLYCOPHOSPHOLIPID AND PEPTIDE-PHOSPHOLIPID CONJUGATES AND USES THEREOF EMORY UNIVERSITY (US) 1998-04-23 — — WO disclosed
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