SCHEMBL6829376

SCHEMBL6829376

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
DOT1L Q8TEK3 2/20 0.66
ADORA3 P0DMS8 2/20 0.66
ADORA2A P29274 2/20 0.66
ADORA2B P29275 2/20 0.66
DPP4 P27487 1/20 0.66
MEN1 O00255 1/20 0.66
SLC28A1 O00337 1/20 0.66
MAP3K7 O43318 1/20 0.66
SLC28A2 O43868 1/20 0.66
GAPDH P04406 1/20 0.66
MAPK1 P28482 1/20 0.66
STAT6 P42226 1/20 0.66
PI4KA P42356 1/20 0.66
KMT2A Q03164 1/20 0.66
PI4K2B Q8TCG2 1/20 0.66
SLC29A1 Q99808 1/20 0.66
PI4K2A Q9BTU6 1/20 0.66
SLC28A3 Q9HAS3 1/20 0.66

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
SCHEMBL13268740 0.93 ADORA1 (0.67) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL10602068 0.92 ADORA1 (0.66) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL3698839 0.87 ADORA3 (0.72) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL873362 0.87 ADORA3 (0.72) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL8328542 0.87 ADORA1 (0.74) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL10600624 0.87 ADORA1 (0.68) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL4649944 0.87 ADORA1 (0.68) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL1696455 0.87 ADORA1 (0.65) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL7793910 0.87 ADORA1 (0.66) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A
SCHEMBL7435435 0.86 AHCY (0.71) ADORA1SMN1; SMN2DOT1LADORA3ADORA2A

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-20040214198-A1 Allele-targeted RNA interference UNIVERSITY OF MASSACHUSETTS 2004-10-28 US disclosed
WO-2004046324-A2 ALLELE-TARGETED RNA INTERFERENCE UNIVERSITY OF MASSACHUSETTS (US) 2004-06-03 WO disclosed