SCHEMBL16645746

SCHEMBL16645746

NC(=O)c1c(C(F)(F)F)sc2nc(Cc3cccc(C(F)F)c3F)cc(=O)n12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 18/20 0.51
GRIN1 Q05586 17/20 0.51
GRIA2 P42262 11/20 0.51
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LIMK1 P53667 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN2C Q14957 1/20 0.32

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
SCHEMBL16645507 0.89 GRIN2A (0.53) GRIN2AGRIN1GRIA2POLBAPEX1
SCHEMBL17958239 0.87 GRIN1 (0.68) GRIN2AGRIN1GRIA2
SCHEMBL16636460 0.78 GRIN1 (0.77) GRIN2AGRIN1GRIA2
SCHEMBL16636415 0.78 GRIN1 (0.64) GRIN2AGRIN1GRIA2
SCHEMBL17958280 0.77 GRIN1 (0.58) GRIN2AGRIN1GRIA2
SCHEMBL16645506 0.77 GRIN1 (0.70) GRIN2AGRIN1GRIA2
SCHEMBL16645664 0.76 GRIN2A (0.65) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16637314 0.76 GRIN1 (0.76) GRIN2AGRIN1GRIA2
SCHEMBL16645689 0.76 GRIN2A (0.44) GRIN2AGRIN1GRIA2HTTGRIN2D
SCHEMBL16645748 0.75 GRIN1 (0.84) GRIN2AGRIN1GRIA2

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-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed