SCHEMBL1663543

SCHEMBL1663543

COC(=O)c1nn2c(CO[Si](C)(C)C(C)(C)C)cc(OS(=O)(=O)C(F)(F)F)cc2c1C(=O)OC

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL1663198 0.83 CYP3A4 (0.35) EGFRMAPT
SCHEMBL1666489 0.77 MAPT (0.36) EGFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL25934717 0.68 MMP2 (0.35) MEN1ALDH1A1MAPTKMT2A
SCHEMBL5238331 0.67 HTR2A (0.33) MAPT
SCHEMBL8817941 0.66 NOTUM (0.39) ALDH1A1
SCHEMBL1662907 0.66 ALDH1A1 (0.48) MEN1ALDH1A1MAPTKMT2A
SCHEMBL1664597 0.65 ALDH1A1 (0.43) EGFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL10073218 0.64 CYP3A4 (0.49) MEN1ALDH1A1MAPTKMT2A
SCHEMBL1663125 0.63 ALDH1A1 (0.40) EGFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL5198243 0.62 HSD11B1 (0.32) —

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-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
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