SCHEMBL9218364

SCHEMBL9218364

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OC1CCCCO1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.62
ADORA3 P0DMS8 4/20 0.62
ADORA2A P29274 3/20 0.62
ADORA2B P29275 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
DPP4 P27487 1/20 0.62
SLC28A1 O00337 1/20 0.62
MAP3K7 O43318 1/20 0.62
SLC28A2 O43868 1/20 0.62
GAPDH P04406 1/20 0.62
MAPK1 P28482 1/20 0.62
STAT6 P42226 1/20 0.62
PI4KA P42356 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
PI4K2B Q8TCG2 1/20 0.62
DOT1L Q8TEK3 1/20 0.62
SLC29A1 Q99808 1/20 0.62
PI4K2A Q9BTU6 1/20 0.62
SLC28A3 Q9HAS3 1/20 0.62

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
SCHEMBL22875578 1.00 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL5822306 0.88 ADORA3 (0.53) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL5822309 0.88 ADORA3 (0.53) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL5553658 0.86 ADORA3 (0.71) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL6908435 0.84 AHCY (0.55) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL6893039 0.84 AHCY (0.55) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL17860531 0.84 TYMP (0.49) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL5506406 0.84 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL5216646 0.84 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL5216636 0.84 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289619-B1 PROCESS FOR SYNTHESIZING OLIGONUCLEOTIDES AND COMPOUNDS FOR FORMING HIGH-MOLECULAR PROTECTIVE GROUP DAICEL CHEM (JP) 1995-08-16 EP disclosed
US-4950745-A Process for synthesis of oligonucleotides and compound for forming polymeric protecting group DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-21 US disclosed
EP-0289619-A1 PROCESS FOR SYNTHESIZING OLIGONUCLEOTIDES AND COMPOUNDS FOR FORMING HIGH-MOLECULAR PROTECTIVE GROUP DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-09 EP disclosed