SCHEMBL9426538

SCHEMBL9426538

NC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.73
P2RY1 P47900 4/20 0.72
ADORA1 P30542 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
P2RY2 P41231 3/20 0.72
SRC P12931 2/20 0.72
DNPH1 O43598 1/20 0.72
PRKAB2 O43741 1/20 0.72
TRPM2 O94759 1/20 0.72
LDHA P00338 1/20 0.72
ADRB2 P07550 1/20 0.72
FBP1 P09467 1/20 0.72
PRKAG1 P54619 1/20 0.72
PRKAA2 P54646 1/20 0.72
PDE4D Q08499 1/20 0.72
KCNH2 Q12809 1/20 0.72
PRKAA1 Q13131 1/20 0.72
PDE3A Q14432 1/20 0.72
TAS1R3 Q7RTX0 1/20 0.72
TAS1R1 Q7RTX1 1/20 0.72

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
SCHEMBL2463542 1.00 PRKACA (0.73) PRKACAP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL19859780 0.91 ADORA1 (0.73) PRKACAP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL1757017 0.91 ADORA1 (0.73) PRKACAP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL219554 0.90 P2RY1 (0.71) PRKACAP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL31001632 0.90 P2RY1 (0.71) PRKACAP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL11584743 0.90 P2RY1 (0.71) PRKACAP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL5550634 0.90 P2RY1 (0.71) PRKACAP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL9295615 0.89 AHCY (0.71) PRKACAP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL9295626 0.89 AHCY (0.71) PRKACAP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL7164930 0.89 ADORA1 (0.70) PRKACAP2RY1ADORA1SMN1; SMN2P2RY2

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
US-5290773-A Sulfonyl derivatives TAKAYANAGI TAKEO (US) 1994-03-01 US disclosed
EP-0493642-A1 Novel sulfonyl derivatives Takayanagi, Takeo, Dr. (US) 1992-07-08 EP disclosed