SCHEMBL17058313

SCHEMBL17058313

O=c1c(OC2CCC(F)C2)c(N2CCN(SC(CC(O)CO)c3ccccc3)CC2)cnn1-c1cc(F)cc(F)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ SLC2A1 P11166 1/20 0.30
▸ SLC2A3 P11169 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
SCHEMBL11944840 0.87 MAPT (0.34) ALDH1A1
SCHEMBL17057993 0.81 RAB9A (0.34) ALDH1A1MCHR1SLC2A1SLC2A3
SCHEMBL17058130 0.79 ALDH1A1 (0.38) ALDH1A1SLC2A1SLC2A3
SCHEMBL17058350 0.79 SLC2A1 (0.32) ALDH1A1MCHR1SLC2A1SLC2A3
SCHEMBL17057951 0.78 SLC2A1 (0.34) ALDH1A1MCHR1SLC2A1SLC2A3
SCHEMBL11944844 0.77 MAPT (0.35) ALDH1A1SLC2A1SLC2A3
SCHEMBL17057942 0.76 POLB (0.42) ALDH1A1MCHR1SLC2A1SLC2A3
SCHEMBL17057800 0.76 SLC2A1 (0.31) SLC2A1SLC2A3
SCHEMBL11944798 0.75 MAPT (0.42) ALDH1A1
SCHEMBL17057810 0.75 SLC2A1 (0.33) ALDH1A1SLC2A1SLC2A3

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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