SCHEMBL9548729

SCHEMBL9548729

CC(C)(C)[Si](C)(C)OC1C[C@H](n2cnc3c(N)ncnc32)O[C@]1(C=NO)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.43
AHCY P23526 4/20 0.42
PI4K2A Q9BTU6 4/20 0.42
PI4KA P42356 3/20 0.42
PI4K2B Q8TCG2 3/20 0.42
PI4KB Q9UBF8 3/20 0.42
SLC28A1 O00337 2/20 0.41
SLC28A2 O43868 2/20 0.41
ADORA2A P29274 5/20 0.39
ADORA3 P0DMS8 4/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9548709 1.00 ADA (0.43) ADAAHCYPI4K2API4KAPI4K2B
SCHEMBL9548684 0.90 ADA (0.43) ADAAHCYPI4K2API4KAPI4K2B
SCHEMBL9548696 0.90 ADA (0.43) ADAAHCYPI4K2API4KAPI4K2B
SCHEMBL9548888 0.90 AHCY (0.41) AHCYADORA2AADORA3TP53ADORA2B
SCHEMBL30618130 0.85 ADA (0.47) ADAAHCYPI4K2API4KAPI4K2B
SCHEMBL9548674 0.85 ADA (0.47) ADAAHCYPI4K2API4KAPI4K2B
SCHEMBL9548784 0.85 ADA (0.47) ADAAHCYPI4K2API4KAPI4K2B
SCHEMBL9548659 0.85 ADA (0.47) ADAAHCYPI4K2API4KAPI4K2B
SCHEMBL9548793 0.85 ADA (0.47) ADAAHCYPI4K2API4KAPI4K2B
SCHEMBL17106709 0.85 PRMT5 (0.38) PRMT5WDR77

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-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed