SCHEMBL9548650

SCHEMBL9548650

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](n2cnc3c(N)nc(N)nc32)OC1(CO)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.44
PNP P00491 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3A Q14432 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HSP90B1 P14625 2/20 0.38
HINT1 P49773 1/20 0.37
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
NT5E P21589 2/20 0.36
ADORA2A P29274 4/20 0.35
ADORA3 P0DMS8 3/20 0.35
ADORA2B P29275 2/20 0.35
HSP90AA1 P07900 1/20 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
SCHEMBL9548908 1.00 AHCY (0.44) AHCYPNPLMNATP53HTT
SCHEMBL9548627 0.94 AHCY (0.42) AHCYPNPLMNATP53HTT
SCHEMBL25395202 0.92 AHCY (0.46) AHCYPNPLMNATP53HTT
SCHEMBL26274323 0.92 AHCY (0.46) AHCYPNPLMNATP53HTT
SCHEMBL9548797 0.90 AHCY (0.44) AHCYPNPLMNATP53HTT
SCHEMBL9548659 0.88 ADA (0.47) AHCYTP53ADORA2AADORA3ADORA2B
SCHEMBL9548674 0.88 ADA (0.47) AHCYTP53ADORA2AADORA3ADORA2B
SCHEMBL30618130 0.88 ADA (0.47) AHCYTP53ADORA2AADORA3ADORA2B
SCHEMBL9548788 0.86 AHCY (0.41) AHCYPNPLMNATP53HTT
SCHEMBL9548888 0.85 AHCY (0.41) 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