SCHEMBL7257342

SCHEMBL7257342

OC[C@H]1OC(n2cnc3c(Cl)nc(S)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.80
TP53 P04637 1/20 0.80
HPGD P15428 1/20 0.64
NT5E P21589 1/20 0.60
HIF1A Q16665 1/20 0.60
ADORA2A P29274 2/20 0.58
ADORA2B P29275 2/20 0.58
CYP2C19 P33261 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
ADORA1 P30542 1/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL29601320 0.89 LMNA (1.00) LMNATP53HPGDADORA2AADORA2B
SCHEMBL10607959 0.89 LMNA (1.00) LMNATP53HPGDADORA2AADORA2B
SCHEMBL639000 0.89 LMNA (1.00) LMNATP53HPGDADORA2AADORA2B
SCHEMBL26030665 0.89 LMNA (1.00) LMNATP53HPGDADORA2AADORA2B
SCHEMBL638999 0.89 LMNA (1.00) LMNATP53HPGDADORA2AADORA2B
SCHEMBL23982228 0.89 LMNA (1.00) LMNATP53HPGDADORA2AADORA2B
SCHEMBL11805362 0.89 LMNA (0.66) LMNATP53HPGDNT5EHIF1A
SCHEMBL5498071 0.88 LMNA (0.80) LMNATP53HPGDNT5EHIF1A
SCHEMBL25361191 0.87 LMNA (0.78) LMNATP53HPGDNT5EHIF1A
SCHEMBL7100664 0.87 LMNA (0.78) LMNATP53HPGDNT5EHIF1A

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
WO-2003051881-A1 SUBSTITUTED PURINE NUCLEOSIDE LIBRARIES AND COMPOUNDS BY SOLID-PHASE COMBINATORIAL STRATEGIES RIBAPHARM INC. (US) 2003-06-26 WO disclosed