SCHEMBL9548618

SCHEMBL9548618

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.53
PNP P00491 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3A Q14432 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HSP90B1 P14625 2/20 0.44
ADORA2A P29274 1/20 0.43
ADORA3 P0DMS8 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
HINT1 P49773 1/20 0.41
SLC28A1 O00337 1/20 0.40
SLC28A2 O43868 1/20 0.40

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
SCHEMBL9548611 1.00 AHCY (0.53) AHCYPNPLMNATP53HTT
SCHEMBL24695032 0.90 AHCY (0.42) AHCYPNPLMNATP53HTT
SCHEMBL30689533 0.90 AHCY (0.42) AHCYPNPLMNATP53HTT
SCHEMBL12736902 0.89 PDE4D (0.61) PNPLMNATP53HTTPDE4D
SCHEMBL20670946 0.89 AHCY (0.54) AHCYPNPLMNATP53HTT
SCHEMBL30689530 0.89 AHCY (0.54) AHCYPNPLMNATP53HTT
SCHEMBL24195283 0.89 AHCY (0.54) AHCYPNPLMNATP53HTT
SCHEMBL23966231 0.89 PDE4D (0.61) PNPLMNATP53HTTPDE4D
SCHEMBL21614181 0.89 AHCY (0.54) AHCYPNPLMNATP53HTT
SCHEMBL31652941 0.89 AHCY (0.54) AHCYPNPLMNATP53HTT

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