SCHEMBL8620071

SCHEMBL8620071

O=c1[nH]c2c3ccccc3c(N3CCCCC3)cc2n(CP(=O)(O)O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
ALDH1A1 P00352 2/20 0.38
PRKDC P78527 1/20 0.38
PARP1 P09874 1/20 0.35
TP53 P04637 2/20 0.34
BRPF1 P55201 1/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL8618755 0.85 ALDH1A1 (0.36) ALDH1A1PRKDCTP53MAPTMEN1
SCHEMBL8620584 0.83 GRIN2D (0.43) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8616771 0.79 GRIA1 (0.48) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8621454 0.76 GRIN2D (0.45) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8618714 0.76 GRIA1 (0.44) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8624846 0.74 GRIN2D (0.41) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7352636 0.74 GRIN2D (0.47) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8107335 0.73 GRIA1 (0.53) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8122798 0.73 GRIA1 (0.53) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8621714 0.68 ALDH1A1 (0.40) ALDH1A1PRKDCPARP1BRPF1MAPT

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 4 patents. 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
EP-0696289-B1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1997-03-12 EP disclosed
EP-0696289-A1 BENZO F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1996-02-14 EP disclosed
WO-1994025470-A1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed