SCHEMBL3228481

SCHEMBL3228481

C#CC1(OC(=O)c2ccccc2O)C(O)C(CO)OC1n1ccc2c(N)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.40
▸ PRMT5 O14744 10/20 0.40
▸ WDR77 Q9BQA1 8/20 0.40
▸ DNMT1 P26358 1/20 0.37
▸ DNMT3B Q9UBC3 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ TRPM2 O94759 1/20 0.37

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
SCHEMBL3238138 1.00 ADK (0.40) ADKPRMT5WDR77DNMT1DNMT3B
SCHEMBL3238152 0.85 PRMT5 (0.41) ADKPRMT5WDR77DNMT1DNMT3B
Salicylic Acid SCHEMBL3238127 0.84 PRMT5 (0.42) ADKPRMT5WDR77DNMT1DNMT3B
SCHEMBL3229893 0.77 PRMT5 (0.50) ADKPRMT5WDR77ADORA2A
SCHEMBL21006387 0.77 PRMT5 (0.50) ADKPRMT5WDR77ADORA2A
SCHEMBL19537076 0.77 PRMT5 (0.50) ADKPRMT5WDR77ADORA2A
SCHEMBL17109566 0.77 PRMT5 (0.50) ADKPRMT5WDR77ADORA2A
SCHEMBL3234238 0.77 PRMT5 (0.50) ADKPRMT5WDR77ADORA2A
SCHEMBL19535607 0.77 PRMT5 (0.50) ADKPRMT5WDR77ADORA2A
SCHEMBL1736124 0.77 PRMT5 (0.50) ADKPRMT5WDR77ADORA2A

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
WO-2010015643-A1 NEW ANTIVIRAL MODIFIED NUCLEOSIDES NOVARTIS AG (CH) 2010-02-11 — — WO disclosed
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