SCHEMBL20096666

SCHEMBL20096666

COC(=O)CNCC1OC(n2cnc3c(N)ncnc32)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 4/20 0.56
▸ AHCY P23526 3/20 0.53
▸ NT5E P21589 1/20 0.48
▸ CARM1 Q86X55 2/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA1 P30542 1/20 0.46

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
SCHEMBL20097216 0.93 DOT1L (0.58) DOT1LAHCYNT5ECARM1
SCHEMBL20096659 0.81 AHCY (0.55) DOT1LAHCYNT5EADORA3ADORA1
SCHEMBL13986324 0.81 ADORA3 (0.51) DOT1LAHCYADORA3ADORA1
SCHEMBL11427985 0.81 PDE2A (0.64) DOT1LAHCYNT5EADORA3ADORA1
SCHEMBL5961364 0.81 PDE2A (0.64) DOT1LAHCYNT5EADORA3ADORA1
SCHEMBL14429057 0.79 PDE2A (0.59) DOT1LAHCYNT5EADORA3ADORA1
SCHEMBL6896076 0.78 ADORA1 (0.66) DOT1LAHCYADORA3ADORA1
SCHEMBL6896080 0.78 ADORA1 (0.66) DOT1LAHCYADORA3ADORA1
SCHEMBL20097215 0.78 DOT1L (0.44) DOT1LAHCYNT5EADORA1
SCHEMBL20097048 0.77 AHCY (0.62) DOT1LAHCYNT5EADORA1

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-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 — — WO disclosed
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