SCHEMBL11036626

SCHEMBL11036626

CCCCC[C@@]1(n2cnc3c(N)ncnc32)O[C@H](CO)C[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.48
ADORA3 P0DMS8 2/20 0.48
GMPS P49915 1/20 0.48
SLC28A1 O00337 2/20 0.45
EHMT1 Q9H9B1 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
PI4KA P42356 2/20 0.42
PI4K2B Q8TCG2 2/20 0.42
PI4K2A Q9BTU6 2/20 0.42
PI4KB Q9UBF8 2/20 0.42
AHCY P23526 3/20 0.41
ADORA2B P29275 2/20 0.41
SLC28A2 O43868 1/20 0.40
ADORA1 P30542 1/20 0.40
ADA P00813 1/20 0.39

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
SCHEMBL28194180 0.99 ADORA2A (0.47) ADORA2AADORA3GMPSSLC28A1EHMT1
SCHEMBL646291 0.82 ADORA2A (0.56) ADORA2AADORA3GMPSSLC28A1PRMT5
SCHEMBL9231750 0.82 ADORA3 (0.49) ADORA2AADORA3GMPSSLC28A1EHMT1
SCHEMBL1920532 0.81 ADORA3 (0.48) ADORA2AADORA3GMPSSLC28A1EHMT1
SCHEMBL10865960 0.81 ADORA3 (0.48) ADORA2AADORA3GMPSSLC28A1EHMT1
SCHEMBL30382315 0.81 ADORA2A (0.52) ADORA2AADORA3GMPSSLC28A1PRMT5
SCHEMBL28171063 0.80 ADORA2A (0.51) ADORA2AADORA3GMPSSLC28A1PRMT5
SCHEMBL20833563 0.80 ADORA2A (0.51) ADORA2AADORA3GMPSSLC28A1PRMT5
SCHEMBL4884773 0.80 EHMT1 (0.47) ADORA2AADORA3GMPSSLC28A1EHMT1
SCHEMBL29509039 0.79 ADORA3 (0.50) ADORA2AADORA3GMPSSLC28A1EHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0068268-B1 ENHANCER OF ANTI-TUMOUR EFFECT Yamasa Shoyu Kabushiki Kaisha (JP) 1985-05-02 EP claimed
EP-0068268-A1 Enhancer of anti-tumour effect Yamasa Shoyu Kabushiki Kaisha (JP) 1983-01-05 EP claimed
JP-57209225-A None JP disclosed
EP-0068268-B1 ENHANCER OF ANTI-TUMOUR EFFECT Yamasa Shoyu Kabushiki Kaisha (JP) 1985-05-02 EP disclosed
EP-0068268-A1 Enhancer of anti-tumour effect Yamasa Shoyu Kabushiki Kaisha (JP) 1983-01-05 EP disclosed
JP-S57209225-A ANTITUMOR ACTIVITY INTENSIFIER YAMASA SHOYU CO LTD 1982-12-22 JP disclosed