SCHEMBL13743232

SCHEMBL13743232

C=C(COCP(=O)(OCCC)OCCC)C(CCC(C)(C)[Si](C)(C)O)n1cnc2c(Cl)nc(N)nc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.34
ABCB11 O95342 1/20 0.31
POLA1 P09884 1/20 0.31
POLG P54098 1/20 0.31
FAP Q12884 1/20 0.31
SLC22A6 Q4U2R8 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
SCHEMBL13714795 0.85 NT5E (0.33) NT5EABCB11POLA1POLGFAP
SCHEMBL13743181 0.78 FDPS (0.39) NT5EABCB11POLA1POLGFAP
SCHEMBL13714779 0.76 HPRT1 (0.43) NT5ESLC22A6
SCHEMBL3854698 0.74 HPRT1 (0.40) NT5ESLC22A6
SCHEMBL13714841 0.74 HSP90AA1 (0.33) NT5E
SCHEMBL3863287 0.72 HPRT1 (0.37) NT5ESLC22A6
SCHEMBL14621498 0.71 SLC22A6 (0.46) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL13742912 0.70 HPRT1 (0.44) NT5ESLC22A6
SCHEMBL3853182 0.67 HPRT1 (0.44) NT5ESLC22A6
SCHEMBL13714781 0.67 HPRT1 (0.44) NT5ESLC22A6

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
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed