SCHEMBL10619720

SCHEMBL10619720

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49
ADORA3 P0DMS8 5/20 0.47
HSP90B1 P14625 2/20 0.46
ADORA2A P29274 5/20 0.45
LMNA P02545 1/20 0.45
NT5E P21589 1/20 0.45
HIF1A Q16665 1/20 0.45
ADORA2B P29275 3/20 0.44
P2RY1 P47900 1/20 0.44
P2RY12 Q9H244 1/20 0.44
AHCY P23526 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL4011368 0.88 CA1 (0.64) CA1CA2CA4CA9ADORA3
SCHEMBL4010175 0.84 AHCY (0.64) ADORA3HSP90B1ADORA2ALMNAHIF1A
SCHEMBL10619733 0.78 CA1 (0.78) CA1CA2CA4CA9ADORA3
SCHEMBL7038412 0.76 LMNA (0.75) ADORA3ADORA2ALMNANT5EHIF1A
SCHEMBL8333120 0.76 LMNA (0.61) ADORA3ADORA2ALMNANT5EHIF1A
SCHEMBL7038406 0.76 LMNA (0.75) ADORA3ADORA2ALMNANT5EHIF1A
SCHEMBL8333122 0.76 LMNA (0.61) ADORA3ADORA2ALMNANT5EHIF1A
SCHEMBL8142114 0.75 PRMT5 (0.63) ADORA3HSP90B1ADORA2ALMNAHIF1A
SCHEMBL31001599 0.75 ADORA3 (0.60) ADORA3HSP90B1ADORA2ALMNAHIF1A
Phosphoric Acid SCHEMBL21465159 0.74 LMNA (0.68) ADORA3ADORA2ALMNANT5EHIF1A

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