SCHEMBL8972156

SCHEMBL8972156

CC(C)(C)OC[C@H]1O[C@](n2cnc3c(N)ncnc32)([SiH](c2ccccc2)c2ccccc2)C[C@@H]1C=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.41
P2RY12 Q9H244 1/20 0.39
ADORA2A P29274 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
SLC28A1 O00337 1/20 0.37
NT5E P21589 2/20 0.34
PI4KA P42356 5/20 0.34
PI4K2B Q8TCG2 5/20 0.34
PI4K2A Q9BTU6 5/20 0.34
PI4KB Q9UBF8 5/20 0.34
P2RY1 P47900 1/20 0.33
AHCY P23526 1/20 0.33
NNMT P40261 1/20 0.32
GMPS P49915 1/20 0.32
RET P07949 1/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL7063477 0.72 ADORA1 (0.46) ADORA1ADORA2AADORA3SLC28A1NT5E
SCHEMBL7066965 0.71 ADORA1 (0.43) ADORA1ADORA2AADORA3NT5EAHCY
SCHEMBL6879100 0.70 ADORA1 (0.40) ADORA1P2RY12NT5EAHCYEGFR
SCHEMBL9218681 0.68 ADORA1 (0.44) ADORA1ADORA2AADORA3SLC28A1PI4KA
SCHEMBL888265 0.68 ADORA1 (0.35) ADORA1ADORA2AADORA3NT5EPI4KA
SCHEMBL8584884 0.66 P2RY12 (0.48) ADORA1P2RY12NT5EPI4KAPI4K2B
SCHEMBL7621351 0.66 P2RY12 (0.48) ADORA1P2RY12NT5EPI4KAPI4K2B
SCHEMBL8972151 0.66 P2RY12 (0.48) ADORA1P2RY12NT5EPI4KAPI4K2B
SCHEMBL9548835 0.65 ADORA2A (0.44) ADORA1ADORA2AADORA3SLC28A1PI4KA
SCHEMBL25390433 0.64 ADORA1 (0.39) ADORA1ADORA2AADORA3SLC28A1PI4KA

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-5541307-A Backbone modified oligonucleotide analogs and solid phase synthesis thereof ISIS PHARMACEUTICALS, INC. (US) 1996-07-30 US disclosed