SCHEMBL11459665

SCHEMBL11459665

CS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.71
ADORA3 P0DMS8 2/20 0.71
ADORA2A P29274 2/20 0.71
ADORA2B P29275 2/20 0.71
RXFP1 Q9HBX9 1/20 0.71
P2RY1 P47900 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
P2RY2 P41231 3/20 0.70
TAS1R3 Q7RTX0 2/20 0.70
TAS1R1 Q7RTX1 2/20 0.70
SRC P12931 2/20 0.70
DNPH1 O43598 1/20 0.70
PRKAB2 O43741 1/20 0.70
TRPM2 O94759 1/20 0.70
LDHA P00338 1/20 0.70
ADRB2 P07550 1/20 0.70
FBP1 P09467 1/20 0.70
PRKAG1 P54619 1/20 0.70
PRKAA2 P54646 1/20 0.70
PDE4D Q08499 1/20 0.70

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
SCHEMBL2294876 0.92 CA1 (0.73) ADORA1ADORA3ADORA2AADORA2BRXFP1
SCHEMBL30208039 0.92 CA1 (0.73) ADORA1ADORA3ADORA2AADORA2BRXFP1
SCHEMBL14201601 0.92 CA1 (0.73) ADORA1ADORA3ADORA2AADORA2BRXFP1
SCHEMBL2294870 0.92 CA1 (0.73) ADORA1ADORA3ADORA2AADORA2BRXFP1
SCHEMBL29754360 0.91 TAS1R3 (0.75) ADORA1ADORA3ADORA2AADORA2BRXFP1
SCHEMBL8954219 0.91 TAS1R3 (0.75) ADORA1ADORA3ADORA2AADORA2BRXFP1
SCHEMBL1066377 0.91 TAS1R3 (0.75) ADORA1ADORA3ADORA2AADORA2BRXFP1
SCHEMBL4321241 0.87 TARS1 (0.71) TARS1
SCHEMBL35050 0.87 ADORA1 (0.68) ADORA1ADORA3ADORA2AADORA2BRXFP1
SCHEMBL13773216 0.86 TARS1 (0.78) TARS1

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-55020741-A None JP disclosed
JP-S5520741-A CYANOADENOSINE AND ITS PREPARATION YAMASA SHOYU CO LTD 1980-02-14 JP disclosed