SCHEMBL9548820

SCHEMBL9548820

Nc1nc(N)c2ncn([C@H]3CCC(CO)(CO)O3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.49
PNP P00491 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HSP90B1 P14625 2/20 0.41
ADORA3 P0DMS8 3/20 0.40
HSP90AA1 P07900 1/20 0.40
ADORA2A P29274 1/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
PI4K2A Q9BTU6 1/20 0.39
ADA P00813 1/20 0.39
NT5E P21589 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
SCHEMBL24695430 0.93 AHCY (0.46) AHCYPNPLMNATP53HTT
SCHEMBL9548595 0.84 ADA (0.56) AHCYTP53ADORA3ADORA2API4K2A
SCHEMBL24695429 0.83 AHCY (0.36) AHCYPNPLMNATP53HTT
SCHEMBL9149297 0.83 AHCY (0.45) AHCYPNPLMNATP53HTT
SCHEMBL9548624 0.83 AHCY (0.45) AHCYPNPLMNATP53HTT
SCHEMBL9149291 0.83 AHCY (0.45) AHCYPNPLMNATP53HTT
SCHEMBL9548794 0.82 AHCY (0.43) AHCYPNPLMNATP53HTT
SCHEMBL9548765 0.80 ADORA3 (0.55) PNPADORA3
SCHEMBL9548618 0.77 AHCY (0.53) AHCYPNPLMNATP53HTT
SCHEMBL9548611 0.77 AHCY (0.53) 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