SCHEMBL31037024

SCHEMBL31037024

OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)C[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.70
▸ PMP22 Q01453 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ TDP1 Q9NUW8 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ THPO P40225 1/20 0.70

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
SCHEMBL23982119 0.99 PMP22 (0.70) ADORA2APMP22TSHR
SCHEMBL23982112 0.95 — —
SCHEMBL7654770 0.85 ADORA3 (0.70) ADORA2A
SCHEMBL7654753 0.85 ADORA3 (0.70) ADORA2A
SCHEMBL9226600 0.84 HIF1A (0.57) —
SCHEMBL6267085 0.84 HIF1A (0.71) —
SCHEMBL23982373 0.84 HIF1A (0.71) —
SCHEMBL21011280 0.84 HIF1A (0.71) —
SCHEMBL548569 0.84 HIF1A (0.71) —
SCHEMBL6267089 0.84 HIF1A (0.71) —

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
CN-118561940-A N-alkylation modification method of nucleoside, nucleotide, oligonucleotide and analogues thereof 上海交通大学 2024-08-30 — — CN disclosed
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