SCHEMBL2857955

SCHEMBL2857955

O=C(Nc1ccccc1-n1cccc1)Oc1cnn(-c2cccc(Cl)n2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.42
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNQ2 O43526 1/20 0.37
MALT1 Q9UDY8 15/20 0.36
MAPT P10636 1/20 0.35
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL2850389 0.87 NPY5R (0.40) NPY5RMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL2854497 0.85 NPY5R (0.44) NPY5RMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL2852387 0.85 P2RX7 (0.37) MALT1MAPTKEAP1NFE2L2
SCHEMBL2857444 0.83 ALDH1A1 (0.42) NPY5RMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL2850855 0.83 KEAP1 (0.36) NPY5RALDH1A1MALT1MAPTKEAP1
SCHEMBL2852553 0.80 MALT1 (0.40) MEN1KMT2AL3MBTL1MALT1MAPT
SCHEMBL2856517 0.80 MAPT (0.42) NPY5RALDH1A1MAPT
SCHEMBL2854492 0.78 MAPT (0.42) MEN1ALDH1A1KMT2AL3MBTL1MALT1
SCHEMBL2852401 0.78 L3MBTL1 (0.39) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL2856974 0.77 MAPT (0.39) MEN1KMT2AL3MBTL1MALT1MAPT

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed