SCHEMBL2280708

SCHEMBL2280708

N#CC(c1cocn1)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL28889285 0.70 ALDH1A1 (0.41) ALDH1A1GAAMEN1GFERKMT2A
SCHEMBL28889282 0.69 ALDH1A1 (0.40) ALDH1A1GAAMEN1GFERKMT2A
SCHEMBL28889317 0.68 ALDH1A1 (0.40) ALDH1A1GAAMEN1GFERKMT2A
SCHEMBL29031381 0.67 ALDH1A1 (0.46) ALDH1A1GAAMEN1GFERKMT2A
SCHEMBL1507854 0.67 ALDH1A1 (0.53) ALDH1A1GAAMEN1GFERKMT2A
SCHEMBL10708532 0.65 NFE2L2 (0.42) ALDH1A1GAAMEN1GFERKMT2A
SCHEMBL16142244 0.65 ALDH1A1 (0.40) ALDH1A1GAAMEN1GFERKMT2A
SCHEMBL29031375 0.65 ALDH1A1 (0.49) ALDH1A1GAAMEN1GFERKMT2A
SCHEMBL27974518 0.65 ALDH1A1 (0.56) ALDH1A1GAAMEN1GFERKMT2A
SCHEMBL4910575 0.63 IDO1 (0.37) ALDH1A1GAAMEN1GFERKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed