SCHEMBL8819317

SCHEMBL8819317

OC[C@H]1O[C@@H](n2cnc3c(NOCc4ccccc4)ncnc32)C(O)C1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.74
▸ SLC29A1 Q99808 3/20 0.74
▸ TP53 P04637 2/20 0.74
▸ TDP1 Q9NUW8 1/20 0.74
▸ ADORA2A P29274 9/20 0.72
▸ ADORA1 P30542 6/20 0.72
▸ NFKB1 P19838 3/20 0.72
▸ TSHR P16473 3/20 0.72
▸ THPO P40225 2/20 0.72
▸ LMNA P02545 2/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ PMP22 Q01453 2/20 0.71
▸ NPC1 O15118 2/20 0.71
▸ RAB9A P51151 2/20 0.71
▸ RXFP1 Q9HBX9 2/20 0.71
▸ GLA P06280 1/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ NPY1R P25929 1/20 0.71
▸ HTT P42858 1/20 0.71
▸ NPY2R P49146 1/20 0.71

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
SCHEMBL8819300 1.00 ADORA3 (0.74) ADORA3SLC29A1TP53TDP1ADORA2A
SCHEMBL9228859 0.87 SLC29A1 (0.77) SLC29A1TP53CYP3A4HIF1A
SCHEMBL9228887 0.87 SLC29A1 (0.77) SLC29A1TP53CYP3A4HIF1A
SCHEMBL8820548 0.86 ADORA1 (0.70) ADORA3ADORA2AADORA1RXFP1CYP1A2
SCHEMBL8820534 0.86 ADORA1 (0.70) ADORA3ADORA2AADORA1RXFP1CYP1A2
SCHEMBL5353431 0.86 ADORA3 (0.67) ADORA3SLC29A1ADORA2AADORA1ADORA2B
N6-Benzyladenosine SCHEMBL23982413 0.85 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL15614834 0.85 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL472635 0.85 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL219438 0.85 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997033590-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 — — WO disclosed
WO-1997033591-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 — — WO disclosed
US-5589467-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1996-12-31 — — US disclosed
EP-0719275-A1 CHEMICAL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-07-03 — — EP disclosed
US-5430027-A 2-chloro-N6 -substituted adenosines, their pharmaceutical compositions, and activity in treating ischemias NOVO NORDISK A/S (DK) 1995-07-04 — — US disclosed
WO-1995007921-A1 CHEMICAL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-03-23 — — WO disclosed
EP-0607367-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-07-27 — — EP disclosed
WO-1993023417-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 — — WO disclosed
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