SCHEMBL9548742

SCHEMBL9548742

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.42
ADORA2A P29274 8/20 0.40
ADORA2B P29275 7/20 0.40
SLC29A1 Q99808 1/20 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
HSP90B1 P14625 1/20 0.37
HINT1 P49773 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL9548797 0.85 AHCY (0.44) AHCYADORA2AADORA2BPNPLMNA
SCHEMBL9548611 0.79 AHCY (0.53) AHCYADORA2APNPLMNATP53
SCHEMBL9548618 0.79 AHCY (0.53) AHCYADORA2APNPLMNATP53
SCHEMBL24336459 0.78 PNP (0.41) AHCYADORA2AADORA2BPNPLMNA
SCHEMBL21141082 0.78 PNP (0.39) AHCYADORA2AADORA2BPNPLMNA
SCHEMBL21140823 0.77 AHCY (0.46) AHCYADORA2AADORA2BPNPLMNA
SCHEMBL9548650 0.76 AHCY (0.44) AHCYADORA2AADORA2BPNPLMNA
SCHEMBL9548908 0.76 AHCY (0.44) AHCYADORA2AADORA2BPNPLMNA
SCHEMBL9548793 0.74 ADA (0.47) AHCYADORA2AADORA2BTP53ADORA3
SCHEMBL9548784 0.74 ADA (0.47) AHCYADORA2AADORA2BTP53ADORA3

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