SCHEMBL6893039

SCHEMBL6893039

CSC[C@H]1OC(n2cnc3c(N)ncnc32)C(O)[C@@H]1OC1CCCCO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.55
NADK O95544 1/20 0.54
ADORA3 P0DMS8 2/20 0.53
DNMT1 P26358 3/20 0.52
DNMT3B Q9UBC3 3/20 0.52
AMD1 P17707 1/20 0.52
EHMT1 Q9H9B1 2/20 0.51
DPP4 P27487 1/20 0.51
MEN1 O00255 1/20 0.51
SLC28A1 O00337 1/20 0.51
MAP3K7 O43318 1/20 0.51
SLC28A2 O43868 1/20 0.51
GAPDH P04406 1/20 0.51
MAPK1 P28482 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
STAT6 P42226 1/20 0.51
PI4KA P42356 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL6908435 1.00 AHCY (0.55) AHCYNADKADORA3DNMT1DNMT3B
SCHEMBL6907874 0.90 AHCY (0.47) AHCYNADKADORA3DNMT1DNMT3B
SCHEMBL6907886 0.90 AHCY (0.47) AHCYNADKADORA3DNMT1DNMT3B
SCHEMBL9218364 0.84 ADORA1 (0.62) ADORA3EHMT1DPP4MEN1SLC28A1
SCHEMBL22875578 0.84 ADORA1 (0.62) ADORA3EHMT1DPP4MEN1SLC28A1
SCHEMBL5794947 0.81 ADORA1 (0.61) AHCYNADKADORA3EHMT1DPP4
SCHEMBL5822306 0.80 ADORA3 (0.53) ADORA3EHMT1DPP4MEN1SLC28A1
SCHEMBL5822309 0.80 ADORA3 (0.53) ADORA3EHMT1DPP4MEN1SLC28A1
Methylthioadenosine SCHEMBL890628 0.79 AHCY (0.83) AHCYNADKADORA3DNMT1DNMT3B
Methylthioadenosine SCHEMBL20798030 0.79 AHCY (0.83) AHCYNADKADORA3DNMT1DNMT3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482977-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2004-12-08 EP disclosed
WO-2003074083-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2003-09-12 WO disclosed