SCHEMBL17058239

SCHEMBL17058239

CC1(COc2c(N3CCN([S+]([O-])CSc4ccc(O)cc4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ SLC2A1 P11166 1/20 0.30
▸ SLC2A3 P11169 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ NCOA2 Q15596 1/20 0.30
▸ NCOA1 Q15788 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ NCOA3 Q9Y6Q9 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
SCHEMBL11946043 0.85 MAPT (0.37) NPBWR1MCHR1SLC2A1SLC2A3POLB
SCHEMBL11944567 0.82 NPSR1 (0.47) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17058549 0.82 ALDH1A1 (0.42) NPBWR1MCHR1SLC2A1SLC2A3POLB
SCHEMBL17057853 0.82 SMN1; SMN2 (0.35) NPBWR1MCHR1SLC2A1SLC2A3POLB
SCHEMBL17058289 0.80 NPBWR1 (0.34) NPBWR1MCHR1SLC2A1SLC2A3POLB
SCHEMBL17057972 0.80 POLB (0.33) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL17058382 0.80 SLC2A1 (0.35) NPBWR1MCHR1SLC2A1SLC2A3POLB
SCHEMBL17058559 0.79 POLB (0.33) NPBWR1SLC2A1SLC2A3POLBCYP3A4
SCHEMBL17058218 0.79 ALDH1A1 (0.31) NPBWR1MCHR1SLC2A1SLC2A3POLB
SCHEMBL17058276 0.79 SLC2A1 (0.34) MCHR1SLC2A1SLC2A3POLBCYP3A4

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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