SCHEMBL8624846

SCHEMBL8624846

O=c1[nH]c2c3ccccc3c(-c3ncc[nH]3)cc2n(CP(=O)(O)O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
CSNK1A1 P48729 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
IDO1 P14902 1/20 0.32
MGLL Q99685 1/20 0.31
HPRT1 P00492 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8618696 0.85 PLK1 (0.31) KDM4ENPC1ALDH1A1GAAHTT
SCHEMBL8623556 0.83 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8624212 0.78 PARP1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8621454 0.75 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8620071 0.74 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8618714 0.74 GRIA1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7352636 0.73 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8805875 0.69 IDO1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8622985 0.69 KMT2A (0.33) IDO1KDM4ENPC1ALDH1A1GAA
SCHEMBL8617982 0.68 PLK1 (0.35) IDO1KDM4EALDH1A1GAARXFP1

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
US-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed