SCHEMBL11213486

SCHEMBL11213486

CCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)CC1O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.69
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
ADORA1 P30542 4/20 0.52
ADORA3 P0DMS8 3/20 0.52
ADORA2A P29274 2/20 0.52
P2RX3 P56373 1/20 0.49
P2RX2 Q9UBL9 1/20 0.49
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49

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
SCHEMBL11038083 1.00 SLC29A1 (0.69) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL24021943 0.95 SLC29A1 (0.65) SLC29A1ADORA1ADORA3ADORA2A
SCHEMBL7737737 0.84 ADORA3 (0.67) SLC29A1ADORA1ADORA3ADORA2A
SCHEMBL7737742 0.84 ADORA3 (0.67) SLC29A1ADORA1ADORA3ADORA2A
SCHEMBL23982263 0.84 ADORA3 (0.67) SLC29A1ADORA1ADORA3ADORA2A
SCHEMBL4980359 0.84 SLC29A1 (0.60) SLC29A1ADORA1ADORA3ADORA2A
SCHEMBL20419125 0.84 SLC29A1 (0.54) SLC29A1PDE4APDE4DADORA3ADORA2A
SCHEMBL22090234 0.84 SLC29A1 (0.54) SLC29A1PDE4APDE4DADORA3ADORA2A
SCHEMBL5192646 0.84 SLC29A1 (0.54) SLC29A1PDE4APDE4DADORA3ADORA2A
SCHEMBL20419232 0.84 SLC29A1 (0.54) SLC29A1PDE4APDE4DADORA3ADORA2A

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-0068268-A1 Enhancer of anti-tumour effect Yamasa Shoyu Kabushiki Kaisha (JP) 1983-01-05 EP claimed
EP-0068268-A1 Enhancer of anti-tumour effect Yamasa Shoyu Kabushiki Kaisha (JP) 1983-01-05 EP disclosed