SCHEMBL12929183

SCHEMBL12929183

Nc1nc(N)c2ncn([C@@H]3S[C@H](CO)C(O)[C@@H]3O)c2n1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.58
▸ ADORA2A P29274 3/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ NT5E P21589 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HSP90B1 P14625 1/20 0.45
▸ ADORA2B P29275 1/20 0.44
▸ CYP2C19 P33261 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43

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
SCHEMBL8709942 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL12636459 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL12960582 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL3746390 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL3750374 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL8709225 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL3746380 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL8215983 0.89 AHCY (0.55) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL8222030 0.89 AHCY (0.55) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL8215986 0.89 AHCY (0.55) AHCYADORA2AADORA3ADORA1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875733-B2 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing ISIS PHARMACEUTICALS, INC. (US) 2011-01-25 — — US disclosed
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