SCHEMBL20097216

SCHEMBL20097216

Nc1ncnc2c1ncn2C1OC(CNCC(=O)O)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 4/20 0.58
▸ AHCY P23526 3/20 0.55
▸ GNMT Q14749 1/20 0.51
▸ NT5E P21589 1/20 0.49
▸ CARM1 Q86X55 2/20 0.49
▸ P2RX3 P56373 1/20 0.48
▸ P2RX4 Q99571 1/20 0.48
▸ P2RX2 Q9UBL9 1/20 0.48

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
SCHEMBL20096666 0.93 DOT1L (0.56) DOT1LAHCYNT5ECARM1
SCHEMBL20096659 0.84 AHCY (0.55) DOT1LAHCYNT5E
SCHEMBL11427985 0.83 PDE2A (0.64) DOT1LAHCYNT5EP2RX3P2RX4
SCHEMBL5961364 0.83 PDE2A (0.64) DOT1LAHCYNT5EP2RX3P2RX4
SCHEMBL6896080 0.80 ADORA1 (0.66) DOT1LAHCY
SCHEMBL6896076 0.80 ADORA1 (0.66) DOT1LAHCY
SCHEMBL20097048 0.79 AHCY (0.62) DOT1LAHCYNT5EP2RX3P2RX4
SCHEMBL5847481 0.78 P2RX3 (0.74) P2RX3P2RX4P2RX2
SCHEMBL14428965 0.77 PDE2A (0.59) DOT1LAHCYNT5E
SCHEMBL14429057 0.77 PDE2A (0.59) DOT1LAHCYNT5EP2RX3P2RX4

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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