SCHEMBL17114389

SCHEMBL17114389

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](c2ccc3c(N)ncnn23)C[C@@H]1O[Si](C)(C)C(C)(C)C.Nc1ncnn2c([C@H]3C[C@H](O)[C@@H](CO)O3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 3/20 0.33
▸ POLRMT O00411 1/20 0.31

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
SCHEMBL17106728 0.92 DOT1L (0.33) DOT1LPOLRMT
SCHEMBL25400732 0.90 DOT1L (0.38) DOT1LPOLRMT
SCHEMBL17106684 0.90 DOT1L (0.35) DOT1LPOLRMT
SCHEMBL26282567 0.90 DOT1L (0.38) DOT1LPOLRMT
SCHEMBL30560912 0.83 ADRB1 (0.40) DOT1LPOLRMT
SCHEMBL24606235 0.83 ADRB1 (0.40) DOT1LPOLRMT
SCHEMBL22972736 0.83 ADRB1 (0.40) DOT1LPOLRMT
SCHEMBL25008844 0.83 ADRB1 (0.40) DOT1LPOLRMT
SCHEMBL10154373 0.83 ADRB1 (0.40) DOT1LPOLRMT
SCHEMBL17106826 0.78 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122752-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-01 — — EP disclosed
WO-2015148746-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — WO disclosed
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