SCHEMBL30867101

SCHEMBL30867101

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.50
ADORA3 P0DMS8 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ADORA2A P29274 2/20 0.49
ADORA2B P29275 2/20 0.49
DPP4 P27487 1/20 0.49
MEN1 O00255 1/20 0.49
SLC28A1 O00337 1/20 0.49
MAP3K7 O43318 1/20 0.49
SLC28A2 O43868 1/20 0.49
GAPDH P04406 1/20 0.49
MAPK1 P28482 1/20 0.49
STAT6 P42226 1/20 0.49
PI4KA P42356 1/20 0.49
KMT2A Q03164 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
DOT1L Q8TEK3 1/20 0.49
SLC29A1 Q99808 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
SLC28A3 Q9HAS3 1/20 0.49

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
SCHEMBL6762689 1.00 ADORA1 (0.50) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL21859282 1.00 ADORA1 (0.50) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL21859151 1.00 ADORA1 (0.50) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL22220143 1.00 ADORA1 (0.50) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL23025557 0.92 ADORA3 (0.51) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL14565266 0.92 ADORA1 (0.49) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL24377429 0.91 NT5E (0.49) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL23002345 0.91 ADORA1 (0.57) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL21393132 0.91 NT5E (0.49) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL23046811 0.91 ADORA1 (0.48) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B

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
CN-117858885-A Method and device for purifying nucleotide, and hydrophobic reagent and hydrophobic substrate 国立研究开发法人科学技术振兴机构 2024-04-09 CN disclosed