SCHEMBL9548794

SCHEMBL9548794

Nc1nc(N)c2ncn([C@H]3CCC(C=NO)(CO)O3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.43
PDE4D Q08499 2/20 0.39
PNP P00491 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
PDE3A Q14432 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ADORA3 P0DMS8 5/20 0.38
ADORA2A P29274 1/20 0.38
HSP90B1 P14625 2/20 0.37
HSP90AA1 P07900 1/20 0.36
NR1I2 O75469 1/20 0.36
ALB P02768 1/20 0.36
PI4K2A Q9BTU6 1/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35

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
SCHEMBL9548610 0.87 PI4K2A (0.49) AHCYTP53ADORA3ADORA2API4K2A
SCHEMBL9548599 0.87 PI4K2A (0.49) AHCYTP53ADORA3ADORA2API4K2A
SCHEMBL9548850 0.82 ADORA3 (0.49) PNPPDE3AADORA3
SCHEMBL9548837 0.82 ADORA3 (0.49) PNPPDE3AADORA3
SCHEMBL9548820 0.82 AHCY (0.49) AHCYPDE4DPNPLMNATP53
SCHEMBL9548786 0.79 ALDH1A1 (0.54) PNPLMNAADORA3ALB
SCHEMBL24695430 0.78 AHCY (0.46) AHCYPDE4DPNPLMNATP53
SCHEMBL9149297 0.77 AHCY (0.45) AHCYPDE4DPNPLMNATP53
SCHEMBL9149291 0.77 AHCY (0.45) AHCYPDE4DPNPLMNATP53
SCHEMBL9548624 0.77 AHCY (0.45) AHCYPDE4DPNPLMNATP53

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