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SCHEMBL416716

SCHEMBL416716

COc1ccc(C(Nc2ccn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)C[C@H]3O[Si](C)(C)CC(C)C)c(=O)n2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 6/20 0.39
▸ POLB P06746 1/20 0.32
▸ P2RY6 Q15077 5/20 0.31
▸ P2RY14 Q15391 2/20 0.31
▸ P2RY2 P41231 2/20 0.31
▸ P2RY4 P51582 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ RIN1 Q13671 1/20 0.31
▸ NT5E P21589 1/20 0.30
▸ SLC6A1 P30531 2/20 0.30
▸ SLC6A11 P48066 1/20 0.30

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
SCHEMBL2816907 0.90 TYMP (0.40) TYMPPOLBP2RY6P2RY14P2RY2
SCHEMBL12449768 0.87 TYMP (0.43) TYMPPOLBP2RY6P2RY14P2RY2
SCHEMBL2838277 0.82 THRB (0.34) TYMPPOLBP2RY6P2RY14P2RY2
SCHEMBL13134715 0.80 TYMP (0.40) TYMPPOLBP2RY6P2RY14P2RY2
SCHEMBL2814951 0.79 ABL1 (0.39) TYMPPOLBP2RY6P2RY14P2RY2
SCHEMBL11996482 0.78 TYMP (0.59) TYMPP2RY6P2RY14P2RY2P2RY4
SCHEMBL2816613 0.78 TYMP (0.41) TYMPNT5ESLC6A1SLC6A11
SCHEMBL2816616 0.78 TYMP (0.41) TYMPNT5ESLC6A1SLC6A11
SCHEMBL30664494 0.77 TYMP (0.45) TYMPPOLBP2RY6P2RY14P2RY2
SCHEMBL2812686 0.76 THRB (0.35) TYMPPOLBP2RY6P2RY14P2RY2

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-2408306-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS Alios Biopharma, Inc. (US) 2012-01-25 — — EP disclosed
WO-2010108140-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-23 — — WO disclosed