SCHEMBL17057795

SCHEMBL17057795

CSN1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OCC2(c3ccccc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 4/20 0.37
▸ SLC2A3 P11169 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ DCTPP1 Q9H773 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL17058379 0.91 SMN1; SMN2 (0.43) SMN1; SMN2POLBLMNAKMT2AMAPT
SCHEMBL17058361 0.89 ALDH1A1 (0.38) SLC2A1SLC2A3SMN1; SMN2POLBLMNA
SCHEMBL11944345 0.87 ALDH1A1 (0.49) SLC2A1SLC2A3SMN1; SMN2POLBLMNA
SCHEMBL17058090 0.87 ALDH1A1 (0.38) SLC2A1SLC2A3SMN1; SMN2POLBLMNA
SCHEMBL14899738 0.85 SMN1; SMN2 (0.43) SLC2A1SLC2A3SMN1; SMN2POLBLMNA
SCHEMBL11944867 0.85 MAPT (0.41) SLC2A1SLC2A3SMN1; SMN2POLBLMNA
SCHEMBL11944484 0.85 MAPT (0.41) SLC2A1SLC2A3SMN1; SMN2POLBLMNA
SCHEMBL14899779 0.83 ALDH1A1 (0.37) SLC2A1SLC2A3SMN1; SMN2LMNAKMT2A
SCHEMBL17058063 0.83 SMN1; SMN2 (0.36) SLC2A1SLC2A3SMN1; SMN2POLBLMNA
SCHEMBL11944344 0.83 MAPT (0.41) SLC2A1SLC2A3SMN1; SMN2POLBLMNA

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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