SCHEMBL15070141

SCHEMBL15070141

C[C@@]1(F)C(OC(=O)c2ccccc2)[C@@](F)(CI)O[C@H]1N/C=C\C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TSHR P16473 2/20 0.30
▸ BCHE P06276 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
SCHEMBL15070139 0.78 GAA (0.34) GAAALDH1A1POLBMAPTKMT2A
SCHEMBL18879900 0.69 GAA (0.30) GAATSHR
SCHEMBL15833350 0.67 CYP3A4 (0.40) GAAPOLBKMT2A
SCHEMBL20795953 0.65 GAA (0.36) GAAALDH1A1KMT2ATSHRBCHE
SCHEMBL15841115 0.65 — —
SCHEMBL21015425 0.65 ALDH1A1 (0.36) GAAALDH1A1KMT2ATSHR
SCHEMBL15070138 0.64 — —
SCHEMBL18477453 0.62 P2RY2 (0.38) GAAPOLBKMT2A
SCHEMBL15841134 0.62 GAA (0.33) GAAALDH1A1KMT2ATSHR
SCHEMBL24062790 0.61 LGALS9 (0.43) GAAALDH1A1POLBMAPTKMT2A

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-2013092481-A1 2',4'-DIFLUORO-2'-METHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF HCV RNA REPLICATION F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 — — WO disclosed
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