SCHEMBL8846496

SCHEMBL8846496

CC(O)C(=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
MARS1 P56192 1/20 0.73
P2RY1 P47900 4/20 0.67
ADORA1 P30542 3/20 0.67
P2RY2 P41231 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
SRC P12931 2/20 0.67
DNPH1 O43598 1/20 0.67
PRKAB2 O43741 1/20 0.67
TRPM2 O94759 1/20 0.67
LDHA P00338 1/20 0.67
ADRB2 P07550 1/20 0.67
FBP1 P09467 1/20 0.67
PRKAG1 P54619 1/20 0.67
PRKAA2 P54646 1/20 0.67
PDE4D Q08499 1/20 0.67
KCNH2 Q12809 1/20 0.67
PRKAA1 Q13131 1/20 0.67
PDE3A Q14432 1/20 0.67
TAS1R3 Q7RTX0 1/20 0.67
TAS1R1 Q7RTX1 1/20 0.67

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
SCHEMBL2761284 0.93 MARS1 (0.74) MARS1P2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL7757016 0.90 MARS1 (0.73) MARS1P2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL31001632 0.89 P2RY1 (0.71) MARS1P2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL219554 0.89 P2RY1 (0.71) MARS1P2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL11584743 0.89 P2RY1 (0.71) MARS1P2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL5550634 0.89 P2RY1 (0.71) MARS1P2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL11585557 0.88 MARS1 (0.68) MARS1P2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL2463542 0.88 PRKACA (0.73) MARS1P2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL1757017 0.88 ADORA1 (0.73) MARS1P2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL9426538 0.88 PRKACA (0.73) MARS1P2RY1ADORA1P2RY2SMN1; SMN2

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-5700803-A USING A CARBOSYRIL COMPOIND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-12-23 US disclosed