SCHEMBL16985341

SCHEMBL16985341

Cc1cnn(C(C)(C)C(N)=O)c1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16975556 0.83 ALDH1A1 (0.32)
SCHEMBL16985342 0.82 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4TDP1
SCHEMBL18383145 0.76 POLB (0.43) MAPTKMT2A
SCHEMBL16985359 0.75 CYP4F2 (0.39) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL29078400 0.69 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4SIRT3
SCHEMBL23745310 0.69
SCHEMBL24907460 0.69
SCHEMBL25019043 0.67 LRRK2 (0.43)
SCHEMBL12837966 0.65 NOS1 (0.44)
SCHEMBL17382010 0.65 LMNA (0.41) GRIA1GRIA2GRIA3GRIA4MAPT

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
WO-2015113452-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 WO disclosed