SCHEMBL17058576

SCHEMBL17058576

CC1(COc2c(N3CCN(SNCc4cccc(N)c4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.34
▸ BPTF Q12830 1/20 0.33
▸ SLC2A1 P11166 1/20 0.31
▸ SLC2A3 P11169 1/20 0.31
▸ 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
▸ MET P08581 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
SCHEMBL17058510 0.92 SLC2A1 (0.32) SLC2A1SLC2A3
SCHEMBL17058205 0.92 SLC2A1 (0.34) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL17058210 0.90 — —
SCHEMBL17058467 0.89 NPSR1 (0.33) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL17058512 0.89 LMNA (0.32) SLC2A1SLC2A3
SCHEMBL17058445 0.88 POLB (0.31) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17058248 0.88 SLC2A1 (0.31) SLC2A1SLC2A3
SCHEMBL17058575 0.87 SLC2A1 (0.30) SLC2A1SLC2A3
SCHEMBL17058432 0.87 MCHR1 (0.38) SLC2A1SLC2A3CYP3A4CYP2C19NPSR1
SCHEMBL11945882 0.86 POLB (0.37) ABL1BPTFSLC2A1SLC2A3POLB

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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