SCHEMBL6896935

SCHEMBL6896935

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OCCCc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.60
▸ ADORA2B P29275 5/20 0.60
▸ ADORA1 P30542 5/20 0.60
▸ ADORA3 P0DMS8 5/20 0.60
▸ GNMT Q14749 1/20 0.57
▸ DPP4 P27487 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ SLC28A1 O00337 1/20 0.55
▸ MAP3K7 O43318 1/20 0.55
▸ SLC28A2 O43868 1/20 0.55
▸ GAPDH P04406 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ STAT6 P42226 1/20 0.55
▸ PI4KA P42356 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PI4K2B Q8TCG2 1/20 0.55
▸ DOT1L Q8TEK3 1/20 0.55
▸ SLC29A1 Q99808 1/20 0.55
▸ PI4K2A Q9BTU6 1/20 0.55

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
SCHEMBL6896932 1.00 ADORA2A (0.60) ADORA2AADORA2BADORA1ADORA3GNMT
SCHEMBL6896781 0.89 ADORA2A (0.65) ADORA2AADORA2BADORA1ADORA3DPP4
SCHEMBL6896787 0.89 ADORA2A (0.65) ADORA2AADORA2BADORA1ADORA3DPP4
SCHEMBL6898295 0.85 ADORA2A (0.63) ADORA2AADORA2BADORA1ADORA3DPP4
SCHEMBL6898304 0.85 ADORA2A (0.63) ADORA2AADORA2BADORA1ADORA3DPP4
SCHEMBL5980045 0.83 ADORA3 (0.69) ADORA2AADORA2BADORA1ADORA3DPP4
SCHEMBL5980036 0.83 ADORA3 (0.69) ADORA2AADORA2BADORA1ADORA3DPP4
SCHEMBL14425024 0.83 ADORA3 (0.69) ADORA2AADORA2BADORA1ADORA3DPP4
SCHEMBL6896076 0.81 ADORA1 (0.66) ADORA2AADORA2BADORA1ADORA3DPP4
SCHEMBL6896080 0.81 ADORA1 (0.66) ADORA2AADORA2BADORA1ADORA3DPP4

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-0604409-B1 OLIGONUCLEOTIDE ANALOGS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2004-07-14 — — EP disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 — — EP disclosed
US-6262241-B1 ANTISENSE COMPOUNDS WHICH CLEAVE PHOSPHORODIESTER BONDS AND IMPROVE PHARMACODYNAMIC AND PHARMACOKINETIC PROPERTIES OF OLIGONUCLEOTIDES, USEFUL IN DIAGNOSING DISEASES ISIS PHARMACEUTICALS, INC. 2001-07-17 — — US disclosed
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