SCHEMBL29249882

SCHEMBL29249882

COC1(OC)C=CC(C(CC(O)Cn2cnc3c(N)ncnc32)(c2ccccc2)c2ccccc2)=CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.45
AHCY P23526 5/20 0.45
ADORA1 P30542 2/20 0.43
ALDH1A1 P00352 1/20 0.41
PI4KA P42356 3/20 0.39
PI4K2B Q8TCG2 3/20 0.39
PI4K2A Q9BTU6 3/20 0.39
PI4KB Q9UBF8 3/20 0.39
EGFR P00533 2/20 0.38
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NSD3 Q9BZ95 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
SCHEMBL29249897 0.79 NSD3 (0.53) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL29249895 0.79 NSD3 (0.53) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL9790922 0.71 ADORA1 (0.49) ADORA2AAHCYADORA1LMNA
SCHEMBL29175984 0.71 MAPT (0.36)
SCHEMBL1071563 0.69 ADORA1 (0.49) AHCYADORA1
SCHEMBL2567895 0.69 NSD3 (0.52) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL14955424 0.69 NSD3 (0.52) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL16603993 0.68 AHCY (0.85) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL16578129 0.67 ADORA2A (0.71) ADORA2AAHCYADORA1ALDH1A1PI4KA
SCHEMBL2554197 0.67 ADORA2A (0.71) ADORA2AAHCYADORA1ALDH1A1PI4KA

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
CN-118271320-A Preparation method of (S) -9- (3- (4, 4' -dimethoxy trityl) -2-hydroxypropyl) adenine 苏州诺维康生物科技有限公司 2024-07-02 CN disclosed