SCHEMBL8345933

SCHEMBL8345933

CCC(C)OP(=O)(O)Cn1c(=O)c(=O)[nH]c2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.45
GRIA2 P42262 3/20 0.45
GRIA3 P42263 3/20 0.45
GRIA4 P48058 3/20 0.45
GRIN1 Q05586 3/20 0.45
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
PARG Q86W56 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
DAO P14920 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL8342999 0.92 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4GRIN1
SCHEMBL7354092 0.84 GRIN1 (0.42) GRIA1GRIA2GRIA3GRIA4GRIN1
SCHEMBL8343160 0.81 DAO (0.37) GRIA1GRIA2GRIA3GRIA4GRIN1
SCHEMBL7355341 0.80 GRIN2D (0.63) GRIA1GRIA2GRIA3GRIA4GRIN1
SCHEMBL8340355 0.80 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIN1
SCHEMBL8340390 0.80 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIN1
SCHEMBL8345928 0.78 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4GRIN1
SCHEMBL8346149 0.74 PGR (0.37) GRIA1GRIA2GRIA3GRIA4GRIN1
SCHEMBL8346061 0.74 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4GRIN1
SCHEMBL7353289 0.73 GRIK1 (0.40) GRIA1GRIA2GRIA3GRIA4GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955461-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
US-5750525-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed