SCHEMBL17058024

SCHEMBL17058024

CC(C)[S@@+]([O-])N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCC(F)C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.33
▸ SLC2A3 P11169 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ NCOA2 Q15596 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NCOA3 Q9Y6Q9 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
SCHEMBL11944476 0.89 SLC2A1 (0.33) SLC2A1SLC2A3MCHR1POLBCYP3A4
SCHEMBL17058104 0.88 POLB (0.33) SLC2A1SLC2A3MCHR1POLBCYP3A4
SCHEMBL17057942 0.86 POLB (0.42) SLC2A1SLC2A3MCHR1POLBCYP3A4
SCHEMBL17058474 0.85 POLB (0.36) MCHR1POLBCYP3A4CYP2C19PPARG
SCHEMBL17057810 0.84 SLC2A1 (0.33) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL17058395 0.84 POLB (0.34) SLC2A1SLC2A3MCHR1POLBCYP3A4
SCHEMBL17057912 0.84 SMN1; SMN2 (0.41) MCHR1POLBCYP3A4CYP2C19NPSR1
SCHEMBL17058415 0.84 SLC2A1 (0.37) SLC2A1SLC2A3MCHR1POLBCYP3A4
SCHEMBL11945849 0.84 POLB (0.37) SLC2A1SLC2A3MCHR1POLBCYP3A4
SCHEMBL11945850 0.84 POLB (0.37) SLC2A1SLC2A3MCHR1POLBCYP3A4

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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