SCHEMBL11809451

SCHEMBL11809451

Nc1nc(SCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 1.00
SLC29A1 Q99808 1/20 0.73
ADORA1 P30542 3/20 0.71
ADORA2A P29274 3/20 0.69
ADORA2B P29275 2/20 0.69

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
SCHEMBL11809422 1.00 ADORA3 (1.00) ADORA3SLC29A1ADORA1ADORA2AADORA2B
SCHEMBL11876247 0.87 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL11876222 0.87 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL3316711 0.86 ADORA3 (0.75) ADORA3ADORA1
SCHEMBL11881402 0.85 ADORA3 (0.80) ADORA3ADORA1ADORA2A
SCHEMBL11881369 0.85 ADORA3 (0.80) ADORA3ADORA1ADORA2A
SCHEMBL2458421 0.85 ADORA3 (0.79) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2458424 0.85 ADORA3 (0.79) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL31462888 0.85 SLC29A1 (1.00) ADORA3SLC29A1
SCHEMBL6761745 0.85 SLC29A1 (1.00) ADORA3SLC29A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3989682-A Process for preparing 2-thioadenosine KOHJIN CO., LTD. (JA) 1976-11-02 US disclosed