SCHEMBL17058429

SCHEMBL17058429

Nc1ccc(CSN2CCN(c3cnn(-c4cc(F)cc(F)c4)c(=O)c3OC3CCCC3)CC2)cn1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.31
▸ SLC2A3 P11169 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ GRM7 Q14831 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
SCHEMBL17057794 0.91 SLC2A1 (0.32) SLC2A1SLC2A3
SCHEMBL17058188 0.88 NPC1 (0.39) SLC2A1SLC2A3NPC1RAB9ASMN1; SMN2
SCHEMBL17058048 0.87 PDE4A (0.35) SLC2A1SLC2A3NPC1RAB9ASMN1; SMN2
SCHEMBL11945609 0.85 MAPT (0.38) SLC2A1SLC2A3
SCHEMBL17058122 0.85 NPC1 (0.35) SLC2A1SLC2A3NPC1RAB9ASMN1; SMN2
SCHEMBL17058167 0.82 NPBWR1 (0.37) MCHR1
SCHEMBL17057874 0.82 NPC1 (0.40) SLC2A1SLC2A3NPC1RAB9ASMN1; SMN2
SCHEMBL17058038 0.82 NPBWR1 (0.36) SMN1; SMN2MCHR1
SCHEMBL17057984 0.81 FFAR4 (0.32) GRM7
SCHEMBL17057951 0.81 SLC2A1 (0.34) SLC2A1SLC2A3NPC1RAB9ASMN1; SMN2

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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