SCHEMBL7477922

SCHEMBL7477922

CCOC(=O)Cn1c(=O)c(=O)[nH]c2ccc(N)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.52
GRIA1 P42261 6/20 0.52
GRIA2 P42262 6/20 0.52
GRIA3 P42263 6/20 0.52
GRIA4 P48058 6/20 0.52
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 1/20 0.43
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
GRIK3 Q13003 1/20 0.43
GRIK4 Q16099 1/20 0.43
GRIK5 Q16478 1/20 0.43

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
SCHEMBL7811625 0.86 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7488589 0.84 ADORA3 (0.44) ADORA3GRIA1GRIA2GRIA3GRIA4
SCHEMBL9092206 0.82 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7489474 0.82 ADORA3 (0.56) ADORA3GRIA1GRIA2GRIA3GRIA4
SCHEMBL8609389 0.82 ALDH1A1 (0.41) ADORA3GRIA1GRIA2GRIA3GRIA4
SCHEMBL8609163 0.80 GRIA1 (0.65) ADORA3GRIA1GRIA2GRIA3GRIA4
SCHEMBL7478349 0.79 GRIA1 (0.64) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7476480 0.79 ADORA3 (0.53) ADORA3GRIA1GRIA2GRIA3GRIA4
SCHEMBL8191455 0.79 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL9094909 0.79 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799224-B1 QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AG (DE) 2002-04-17 EP disclosed
US-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
US-5849743-A Quinoxalines and drugs prepared therefrom BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0572852-B1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF AG (DE) 1998-10-21 EP disclosed
US-5714489-A 2,3(1H,4H)quinoxalinedione BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 US disclosed
WO-1996019476-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1996-06-27 WO disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed