SCHEMBL9548620

SCHEMBL9548620

CC(=O)OC[C@@]1(C#N)O[C@H](n2cnc3c(N)nc(N)nc32)C[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 2/20 0.42
AHCY P23526 2/20 0.42
HSP90B1 P14625 1/20 0.41
NT5E P21589 2/20 0.38
PNP P00491 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3A Q14432 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.34

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
SCHEMBL9548612 1.00 HINT1 (0.42) HINT1AHCYHSP90B1NT5EPNP
SCHEMBL12237562 0.89 HINT1 (0.39) HINT1AHCYHSP90B1NT5EPNP
SCHEMBL2524224 0.89 HINT1 (0.39) HINT1AHCYHSP90B1NT5EPNP
SCHEMBL9548593 0.89 AHCY (0.44) AHCYHSP90B1PDE4DPDE3A
SCHEMBL9548589 0.89 AHCY (0.44) AHCYHSP90B1PDE4DPDE3A
SCHEMBL9548704 0.86 HINT1 (0.37) HINT1AHCYHSP90B1NT5EPNP
SCHEMBL9548676 0.85 AHCY (0.50) AHCYHSP90B1NT5EPNPLMNA
SCHEMBL12237558 0.85 AHCY (0.50) AHCYHSP90B1NT5EPNPLMNA
SCHEMBL9548688 0.85 AHCY (0.50) AHCYHSP90B1NT5EPNPLMNA
SCHEMBL25931691 0.84 DNMT1 (0.38) NT5EPNPLMNATP53HTT

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