SCHEMBL17058200

SCHEMBL17058200

COc1cc(C[S+]([O-])N2CCN(c3cnn(-c4cc(F)cc(F)c4)c(=O)c3OCC3CC3(F)F)CC2)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.34
▸ SLC2A3 P11169 2/20 0.34
▸ NPBWR1 P48145 1/20 0.30
▸ MCHR1 Q99705 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
SCHEMBL17058017 0.86 SLC2A1 (0.35) SLC2A1SLC2A3NPBWR1MCHR1
SCHEMBL11945757 0.85 MAPT (0.34) SLC2A1SLC2A3NPBWR1MCHR1
SCHEMBL17058195 0.85 SLC2A1 (0.34) SLC2A1SLC2A3NPBWR1MCHR1
SCHEMBL17057833 0.82 NPBWR1 (0.32) SLC2A1SLC2A3NPBWR1MCHR1
SCHEMBL17058559 0.81 POLB (0.33) SLC2A1SLC2A3NPBWR1
SCHEMBL17058442 0.79 DCTPP1 (0.39) SLC2A1SLC2A3NPBWR1
SCHEMBL17058089 0.79 SLC2A1 (0.32) SLC2A1SLC2A3NPBWR1MCHR1
SCHEMBL17057972 0.77 POLB (0.33) SLC2A1SLC2A3
SCHEMBL11945751 0.76 MAPT (0.36) SLC2A1SLC2A3
SCHEMBL17058201 0.75 POLB (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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