SCHEMBL6900435

SCHEMBL6900435

CCSC1C(n2cnc3c(N)ncnc32)O[C@H](CSC)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 7/20 0.65
NADK O95544 1/20 0.64
DOT1L Q8TEK3 3/20 0.58
DNMT1 P26358 2/20 0.58
DNMT3B Q9UBC3 2/20 0.58
PNMT P11086 1/20 0.58
DPP4 P27487 1/20 0.57
MEN1 O00255 1/20 0.57
SLC28A1 O00337 1/20 0.57
MAP3K7 O43318 1/20 0.57
SLC28A2 O43868 1/20 0.57
GAPDH P04406 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
MAPK1 P28482 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA2B P29275 1/20 0.57
ADORA1 P30542 1/20 0.57
STAT6 P42226 1/20 0.57
PI4KA P42356 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
SCHEMBL6906769 1.00 AHCY (0.65) AHCYNADKDOT1LDNMT1DNMT3B
SCHEMBL6902248 0.91 AHCY (0.69) AHCYNADKDOT1LDNMT1DNMT3B
SCHEMBL998092 0.90 ADORA3 (0.72) AHCYNADKDOT1LDPP4MEN1
Methylthioadenosine SCHEMBL890628 0.87 AHCY (0.83) AHCYNADKDOT1LDNMT1DNMT3B
Methylthioadenosine SCHEMBL160358 0.87 AHCY (0.83) AHCYNADKDOT1LDNMT1DNMT3B
Methylthioadenosine SCHEMBL11954365 0.87 AHCY (0.83) AHCYNADKDOT1LDNMT1DNMT3B
Methylthioadenosine SCHEMBL31388809 0.87 AHCY (0.83) AHCYNADKDOT1LDNMT1DNMT3B
Methylthioadenosine SCHEMBL10013421 0.87 AHCY (0.83) AHCYNADKDOT1LDNMT1DNMT3B
Methylthioadenosine SCHEMBL20798030 0.87 AHCY (0.83) AHCYNADKDOT1LDNMT1DNMT3B
Methylthioadenosine SCHEMBL101382 0.87 AHCY (0.83) AHCYNADKDOT1LDNMT1DNMT3B

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