SCHEMBL17058288

SCHEMBL17058288

COCC(C)(C)COc1c(N2CCN([S+]([O-])Cc3ccc([N+](=O)I)cc3)CC2)cnn(-c2cc(F)cc(F)c2)c1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.31
▸ SLC2A3 P11169 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
SCHEMBL17058201 0.80 POLB (0.34) SLC2A1SLC2A3
SCHEMBL11944636 0.79 ALDH1A1 (0.36) —
SCHEMBL17058186 0.75 MCHR1 (0.34) SLC2A1SLC2A3
SCHEMBL17058089 0.75 SLC2A1 (0.32) SLC2A1SLC2A3
SCHEMBL11944638 0.75 MAPT (0.37) SLC2A1SLC2A3
SCHEMBL17057990 0.74 DCTPP1 (0.39) —
SCHEMBL17058559 0.73 POLB (0.33) SLC2A1SLC2A3
SCHEMBL17058328 0.73 NPC1 (0.35) SLC2A1SLC2A3
SCHEMBL17057972 0.73 POLB (0.33) SLC2A1SLC2A3
SCHEMBL17058200 0.72 SLC2A1 (0.34) SLC2A1SLC2A3

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
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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