SCHEMBL9548885

SCHEMBL9548885

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](n2cnc3c(N)nc(N)nc32)O[C@@H]1CO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
PDE4D Q08499 1/20 0.54
PDE3A Q14432 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
AHCY P23526 1/20 0.47
ADORA2A P29274 3/20 0.44
ADORA2B P29275 2/20 0.44
CYP1A2 P05177 1/20 0.44
HBB P68871 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
NT5E P21589 1/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL21958778 0.92 PNP (0.46) PNPLMNATP53HTTPDE4D
SCHEMBL25399520 0.91 LMNA (0.53) PNPLMNATP53HTTPDE4D
SCHEMBL21959765 0.91 LMNA (0.49) PNPLMNATP53HTTPDE4D
SCHEMBL26288668 0.91 LMNA (0.53) PNPLMNATP53HTTPDE4D
SCHEMBL9548819 0.88 ADA (0.53) PNPLMNATP53HTTPDE4D
SCHEMBL9548829 0.88 ADA (0.53) PNPLMNATP53HTTPDE4D
SCHEMBL8970868 0.88 LMNA (0.58) PNPLMNATP53HTTPDE4D
SCHEMBL22300667 0.85 LMNA (0.58) PNPLMNATP53HTTPDE4D
SCHEMBL13576815 0.85 PNP (0.55) PNPLMNATP53HTTPDE4D
SCHEMBL31359571 0.85 PNP (0.55) PNPLMNATP53HTTPDE4D

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