SCHEMBL17058284

SCHEMBL17058284

CCOCCOc1c(N2CCN(SCc3ccccc3)CC2)cnn(-c2cccc(F)c2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.38
▸ SLC2A3 P11169 2/20 0.38
▸ ALDH1A1 P00352 8/20 0.37
▸ MAPT P10636 3/20 0.37
▸ DCTPP1 Q9H773 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ PPARG P37231 2/20 0.37
▸ NCOA2 Q15596 2/20 0.37
▸ NCOA1 Q15788 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ LMNA P02545 3/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36

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
SCHEMBL17058243 0.94 ALDH1A1 (0.36) SLC2A1SLC2A3ALDH1A1MAPTDCTPP1
SCHEMBL17058031 0.92 MAPT (0.41) ALDH1A1MAPTDCTPP1RXFP1POLB
SCHEMBL17058394 0.89 POLB (0.39) SLC2A1SLC2A3ALDH1A1MAPTDCTPP1
SCHEMBL17058249 0.87 SCN9A (0.37) SLC2A1SLC2A3ALDH1A1MAPTDCTPP1
SCHEMBL11943956 0.85 MAPT (0.49) SLC2A1SLC2A3ALDH1A1MAPTDCTPP1
SCHEMBL17057783 0.84 POLB (0.38) SLC2A1SLC2A3ALDH1A1MAPTDCTPP1
SCHEMBL17057898 0.82 SMN1; SMN2 (0.38) SLC2A1SLC2A3ALDH1A1MAPTDCTPP1
SCHEMBL11945077 0.82 ALDH1A1 (0.49) SLC2A1SLC2A3ALDH1A1MAPTDCTPP1
SCHEMBL17057874 0.82 NPC1 (0.40) SLC2A1SLC2A3ALDH1A1MAPTPOLB
SCHEMBL17058397 0.81 ALDH1A1 (0.35) SLC2A1SLC2A3ALDH1A1MAPTDCTPP1

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
Send feedback