SCHEMBL20834454

SCHEMBL20834454

CC(C)CCOC(=O)CC(NP(OCC1CC[C@H](c2ccc3c(N)ncnn23)O1)Oc1ccccc1)C(=O)OCCC(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 4/20 0.32
▸ DOT1L Q8TEK3 1/20 0.32

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
SCHEMBL22393487 0.85 RIPK1 (0.34) RIPK1DOT1L
SCHEMBL23711075 0.84 ALDH1A1 (0.37) RIPK1DOT1L
SCHEMBL20834801 0.84 DOT1L (0.34) RIPK1DOT1L
SCHEMBL24158267 0.83 DOT1L (0.34) RIPK1DOT1L
SCHEMBL20834874 0.82 DOT1L (0.33) RIPK1DOT1L
SCHEMBL24158224 0.82 DOT1L (0.33) RIPK1DOT1L
SCHEMBL24058292 0.82 DOT1L (0.33) RIPK1DOT1L
SCHEMBL24057868 0.81 DOT1L (0.34) RIPK1DOT1L
SCHEMBL24158150 0.79 DOT1L (0.33) DOT1L
SCHEMBL24058189 0.78 DOT1L (0.33) DOT1L

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-2019053696-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2019-03-21 — — WO disclosed
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