SCHEMBL10619733

SCHEMBL10619733

Nc1nc(Br)nc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)C(O)C1O

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.78
CA2 P00918 1/20 0.78
CA4 P22748 1/20 0.78
CA9 Q16790 1/20 0.78
ADORA3 P0DMS8 6/20 0.59
ADORA2A P29274 4/20 0.59
ADORA2B P29275 3/20 0.59
ADORA1 P30542 2/20 0.59
CA5A P35218 1/20 0.57
SARS1 P49591 2/20 0.56
NT5E P21589 3/20 0.56
P2RY1 P47900 1/20 0.55
P2RY12 Q9H244 1/20 0.55
HINT1 P49773 1/20 0.55
LMNA P02545 1/20 0.54
HIF1A Q16665 1/20 0.54
LARS1 Q9P2J5 1/20 0.54

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
SCHEMBL18630526 0.90 CA1 (0.81) CA1CA2CA4CA9ADORA3
SCHEMBL29737838 0.88 CA1 (1.00) CA1CA2CA4CA9ADORA3
SCHEMBL2489469 0.88 CA1 (1.00) CA1CA2CA4CA9ADORA3
SCHEMBL14201600 0.88 CA1 (0.78) CA1CA2CA4CA9ADORA3
SCHEMBL14201599 0.88 CA1 (1.00) CA1CA2CA4CA9ADORA3
SCHEMBL2489474 0.88 CA1 (1.00) CA1CA2CA4CA9ADORA3
SCHEMBL8405083 0.85 CA5A (0.79) ADORA1CA5ANT5EP2RY1P2RY12
SCHEMBL27404577 0.85 CA5A (0.79) ADORA1CA5ANT5EP2RY1P2RY12
SCHEMBL14201601 0.84 CA1 (0.73) CA1CA2CA4CA9ADORA3
SCHEMBL30208039 0.84 CA1 (0.73) CA1CA2CA4CA9ADORA3

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
JP-63051398-A None JP disclosed
JP-S6351398-A 5'-SULFAMOYL-2-BROMOADENOSINE AND PRODUCTION THEREOF KUREHA CHEM IND CO LTD 1988-03-04 JP disclosed