SCHEMBL9105805

SCHEMBL9105805

CC(=O)N(C)c1ncnc2c1nc(O)n2[C@H]1CC(O)[C@@H](CO)O1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADRB1 P08588 1/20 0.39
▸ DNMT1 P26358 1/20 0.39
▸ PNP P00491 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ PIM1 P11309 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ CSNK2A3 Q8NEV1 1/20 0.36
▸ SLC29A1 Q99808 1/20 0.36

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
SCHEMBL9105781 1.00 HIF1A (0.45) HIF1AADORA3ADORA2AADRB1DNMT1
SCHEMBL9108339 0.82 HIF1A (0.46) HIF1AADORA3ADORA2ASLC29A1
SCHEMBL9108355 0.82 HIF1A (0.46) HIF1AADORA3ADORA2ASLC29A1
SCHEMBL5983124 0.81 ADORA3 (0.52) HIF1AADORA3ADORA2AADRB1DNMT1
SCHEMBL31685786 0.81 ADORA3 (0.52) HIF1AADORA3ADORA2AADRB1DNMT1
SCHEMBL5983113 0.81 ADORA3 (0.52) HIF1AADORA3ADORA2AADRB1DNMT1
SCHEMBL24420487 0.79 ADORA3 (0.66) HIF1AADORA3ADORA2AADRB1DNMT1
SCHEMBL13835070 0.79 ADORA3 (0.66) HIF1AADORA3ADORA2AADRB1DNMT1
SCHEMBL6302264 0.79 ADORA3 (0.66) HIF1AADORA3ADORA2AADRB1DNMT1
SCHEMBL30274706 0.79 ADORA3 (0.66) HIF1AADORA3ADORA2AADRB1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558634-A4 TRIPLEX-FORMING OLIGOMERS CONTAINING MODIFIED BASES GILEAD SCIENCES INC (US) 1995-06-28 — — EP disclosed
EP-0558634-A1 TRIPLEX-FORMING OLIGOMERS CONTAINING MODIFIED BASES GILEAD SCIENCES, INC. (US) 1993-09-08 — — EP disclosed
WO-1992010590-A1 INHIBITION OF TRANSCRIPTION BY FORMATION OF TRIPLE HELIXES GILEAD SCIENCES, INC. (US) 1992-06-25 — — WO disclosed
WO-1992009705-A1 TRIPLEX-FORMING OLIGOMERS CONTAINING MODIFIED BASES GILEAD SCIENCES, INC. (US) 1992-06-11 — — WO disclosed
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