SCHEMBL17204631

SCHEMBL17204631

Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](COP(N)O)O2)cc1CO

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 9/20 0.53
▸ DNMT3B Q9UBC3 4/20 0.49
▸ ADRB1 P08588 1/20 0.47
▸ FPR2 P25090 3/20 0.46
▸ POLB P06746 1/20 0.43
▸ TYMS P04818 1/20 0.39

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
SCHEMBL17204628 0.88 DNMT1 (0.60) DNMT1DNMT3BADRB1FPR2
SCHEMBL6397616 0.86 DNMT1 (0.46) DNMT1DNMT3BADRB1FPR2POLB
SCHEMBL231959 0.86 DNMT1 (0.64) DNMT1DNMT3BADRB1FPR2
SCHEMBL25837386 0.86 DNMT1 (0.64) DNMT1DNMT3BADRB1FPR2
SCHEMBL231960 0.86 DNMT1 (0.64) DNMT1DNMT3BADRB1FPR2
SCHEMBL29431942 0.86 DNMT1 (0.64) DNMT1DNMT3BADRB1FPR2
SCHEMBL22299584 0.86 DNMT1 (0.64) DNMT1DNMT3BADRB1FPR2
SCHEMBL336318 0.85 TYMS (0.55) DNMT1DNMT3BPOLBTYMS
SCHEMBL1331043 0.85 TYMS (0.55) DNMT1DNMT3BPOLBTYMS
SCHEMBL23523713 0.82 DNMT1 (0.42) DNMT1DNMT3BADRB1FPR2POLB

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-2015162130-A1 BASE-MODIFIED-NUCLEOSIDE ANALOGS FOR THE DETECTION OF O6-ALKYL GUANINE ETH ZURICH (CH) 2015-10-29 — — WO disclosed
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