SCHEMBL7793910

SCHEMBL7793910

CC(COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.66
P2RY1 P47900 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
P2RY2 P41231 3/20 0.59
DOT1L Q8TEK3 2/20 0.59
SRC P12931 2/20 0.59
DNPH1 O43598 1/20 0.59
PRKAB2 O43741 1/20 0.59
TRPM2 O94759 1/20 0.59
LDHA P00338 1/20 0.59
ADRB2 P07550 1/20 0.59
FBP1 P09467 1/20 0.59
PRKAG1 P54619 1/20 0.59
PRKAA2 P54646 1/20 0.59
PDE4D Q08499 1/20 0.59
KCNH2 Q12809 1/20 0.59
PRKAA1 Q13131 1/20 0.59
PDE3A Q14432 1/20 0.59
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59

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
SCHEMBL3450680 0.93 ADORA1 (0.68) ADORA1P2RY1SMN1; SMN2P2RY2DOT1L
SCHEMBL4218970 0.92 ADORA1 (0.65) ADORA1P2RY1SMN1; SMN2P2RY2DOT1L
SCHEMBL2519178 0.91 ADORA1 (0.66) ADORA1P2RY1SMN1; SMN2P2RY2DOT1L
SCHEMBL10709093 0.88 ADORA1 (0.62) ADORA1P2RY1SMN1; SMN2P2RY2DOT1L
SCHEMBL13268740 0.88 ADORA1 (0.67) ADORA1P2RY1SMN1; SMN2P2RY2DOT1L
SCHEMBL10711088 0.88 ADORA1 (0.62) ADORA1P2RY1SMN1; SMN2P2RY2DOT1L
SCHEMBL10712349 0.88 ADORA1 (0.62) ADORA1P2RY1SMN1; SMN2P2RY2DOT1L
SCHEMBL13268819 0.87 ADORA1 (0.68) ADORA1P2RY1SMN1; SMN2P2RY2DOT1L
SCHEMBL13268689 0.87 ADORA1 (0.68) ADORA1P2RY1SMN1; SMN2P2RY2DOT1L
SCHEMBL10709863 0.87 ADORA1 (0.66) ADORA1P2RY1SMN1; SMN2P2RY2DOT1L

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835233-B1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS NEN LIFE SCIENCE PROD INC (US) 2001-12-05 EP disclosed
US-5843396-A Method for stabilizing radiolabeled organic compounds by adding a separate stabilizing compound NEN LIFE SCIENCE PRODUCTS, INC. (US) 1998-12-01 US disclosed
EP-0835233-A1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-15 EP disclosed
US-5738836-A Composition for stabilizing radiolabeled organic compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-14 US disclosed
WO-1997001520-A1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-16 WO disclosed
EP-0354638-A2 Use of adenosine and its derivatives in diagnosis MEDCO RESEARCH INC (US) 1990-02-14 EP disclosed
US-4411881-A Composition and method for stabilizing radiolabeled compounds using thiocarbonylated diethylenetriamines NEW ENGLAND NUCLEAR CORPORATION (US) 1983-10-25 US disclosed