SCHEMBL7208241

SCHEMBL7208241

Nc1ncnc2c1ncn2[C@]1(c2ccccc2S(=O)(=O)O)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.43
ADORA2A P29274 3/20 0.43
PI4KA P42356 2/20 0.42
PI4K2B Q8TCG2 2/20 0.42
PI4K2A Q9BTU6 2/20 0.42
PI4KB Q9UBF8 2/20 0.42
SLC28A1 O00337 2/20 0.42
ADORA1 P30542 2/20 0.42
ADORA2B P29275 2/20 0.42
DPP4 P27487 1/20 0.42
MEN1 O00255 1/20 0.42
MAP3K7 O43318 1/20 0.42
SLC28A2 O43868 1/20 0.42
GAPDH P04406 1/20 0.42
MAPK1 P28482 1/20 0.42
STAT6 P42226 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DOT1L Q8TEK3 1/20 0.42
SLC29A1 Q99808 1/20 0.42

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
SCHEMBL9491636 0.87 ADORA3 (0.47) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL2295184 0.84 ADORA3 (0.45) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL1434028 0.83 ADORA3 (0.49) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL3514758 0.83 SLC28A2 (0.45) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL9341012 0.83 PI4KA (0.43) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL10645028 0.79 ADORA3 (0.42) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL28905612 0.79 ADORA3 (0.42) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL9387210 0.79 ADORA3 (0.38) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL10345558 0.79 ADORA3 (0.42) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL9390657 0.79 ADORA3 (0.39) ADORA3ADORA2API4KAPI4K2BPI4K2A

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-20030166605-A1 Method of minimizing damage to heart tissue during cardiac surgery and cardiac transplantation LEUNG EDWARD (US) 2003-09-04 US disclosed
WO-1994002497-A1 SULFO-DERIVATIVES OF ADENOSINE THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-02-03 WO disclosed