SCHEMBL9548589

SCHEMBL9548589

CC(=O)OC[C@@]1(C#N)O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHCY P23526 8/20 0.44
HSP90B1 P14625 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
SLC28A1 O00337 1/20 0.42
SLC28A2 O43868 1/20 0.42
ADA P00813 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
POLB P06746 1/20 0.41
ADCY5 O95622 3/20 0.41

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
SCHEMBL9548593 1.00 AHCY (0.44) AHCYHSP90B1PRMT5WDR77SLC28A1
SCHEMBL9548620 0.89 HINT1 (0.42) AHCYHSP90B1PDE4DPDE3A
SCHEMBL9548612 0.89 HINT1 (0.42) AHCYHSP90B1PDE4DPDE3A
SCHEMBL9548672 0.86 HSP90B1 (0.38) AHCYHSP90B1ADAADCY5
SCHEMBL9548665 0.86 HSP90B1 (0.38) AHCYHSP90B1ADAADCY5
SCHEMBL9548621 0.85 ALDH1A1 (0.45) ADORA3
SCHEMBL9548628 0.85 ALDH1A1 (0.45) ADORA3
SCHEMBL9548815 0.85 SLC28A1 (0.53) AHCYPRMT5WDR77SLC28A1SLC28A2
SCHEMBL9548828 0.85 SLC28A1 (0.53) AHCYPRMT5WDR77SLC28A1SLC28A2
SCHEMBL9548875 0.81 ADORA2A (0.44) AHCYHSP90B1PRMT5WDR77ADA

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