SCHEMBL14644475

SCHEMBL14644475

C[C@H]1[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cc(F)c2c(Cl)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GAPDH P04406 2/20 0.43
▸ HRAS P01112 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ P2RX3 P56373 1/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ P2RX2 Q9UBL9 1/20 0.40
▸ ADK P55263 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ ENPP1 P22413 1/20 0.37
▸ SLC29A1 Q99808 1/20 0.36
▸ ABCB1 P08183 1/20 0.36

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
SCHEMBL30536338 0.92 MEN1 (0.49) MEN1USP2POLBKMT2AGAPDH
SCHEMBL10160533 0.92 MEN1 (0.49) MEN1USP2POLBKMT2AGAPDH
SCHEMBL20214417 0.92 MEN1 (0.49) MEN1USP2POLBKMT2AGAPDH
SCHEMBL10131159 0.92 MEN1 (0.49) MEN1USP2POLBKMT2AGAPDH
SCHEMBL20058765 0.91 LMNA (0.44) GAPDHHRASLMNAADKALDH1A1
SCHEMBL23228246 0.91 LMNA (0.47) MEN1USP2POLBKMT2AGAPDH
SCHEMBL16480678 0.90 ADK (0.51) MEN1USP2POLBKMT2AGAPDH
SCHEMBL25680026 0.86 P2RX3 (0.39) GAPDHP2RX3P2RX4P2RX2ADK
SCHEMBL14010232 0.86 GAPDH (0.44) MEN1USP2POLBKMT2AGAPDH
SCHEMBL31725319 0.85 LMNA (0.46) MEN1USP2POLBKMT2AGAPDH

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-2906579-B1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-04-18 — — EP disclosed
WO-2013009735-A1 5'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-01-17 — — WO disclosed
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