SCHEMBL16348679

SCHEMBL16348679

C[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1=NCN(C)C=2N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
BLM P54132 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
DNMT1 P26358 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
HBB P68871 1/20 0.41
PMP22 Q01453 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
ADORA3 P0DMS8 4/20 0.39
ADORA2A P29274 3/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 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
SCHEMBL5317002 0.91 TP53 (0.50) TP53ALDH1A1HTTBLMGMNN
SCHEMBL40771 0.91 TP53 (0.50) TP53ALDH1A1HTTBLMGMNN
SCHEMBL5950179 0.87 MEN1 (0.46) TP53ALDH1A1HTTBLMGMNN
SCHEMBL6910667 0.81 ADRB1 (0.53) TP53HTTLMNADNMT1HBB
Gamma-Aminobutyric Acid SCHEMBL12610338 0.81 TP53 (0.45) TP53ALDH1A1HTTBLMGMNN
Iodide SCHEMBL8840690 0.80 ADRB1 (0.52) TP53HTTLMNADNMT1HBB
SCHEMBL136036 0.79 TP53 (0.51) TP53ALDH1A1HTTBLMGMNN
SCHEMBL6704178 0.79 TP53 (0.51) TP53ALDH1A1HTTBLMGMNN
SCHEMBL3208247 0.79 TP53 (0.51) TP53ALDH1A1HTTBLMGMNN
SCHEMBL41683 0.79 KDM4E (0.47) TP53ALDH1A1HTTBLMGMNN

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-8933214-B2 RNA synthesis—phosphoramidites for synthetic RNA in the reverse direction, and application in convenient introduction of ligands, chromophores and modifications of synthetic RNA at the 3′-end CHEMGENES CORPORATION (US) 2015-01-13 US disclosed