SCHEMBL7476480

SCHEMBL7476480

CCOC(=O)Cn1c(=O)c(=O)[nH]c2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.53
GRIA1 P42261 5/20 0.51
GRIA2 P42262 5/20 0.51
GRIA3 P42263 5/20 0.51
GRIA4 P48058 5/20 0.51
ALDH1A1 P00352 4/20 0.49
PPARG P37231 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48

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
SCHEMBL8191455 0.85 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL9094909 0.85 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7486477 0.82 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL9093471 0.82 GRIA1 (0.70) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL9613745 0.81 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7477922 0.79 ADORA3 (0.52) ADORA3GRIA1GRIA2GRIA3GRIA4
SCHEMBL7811625 0.78 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL10487968 0.78 ALDH1A1 (0.52) ADORA3ALDH1A1PPARGSMN1; SMN2NPSR1
SCHEMBL7484219 0.78 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL9045056 0.76 ALDH1A1 (0.57) ALDH1A1PPARGSMN1; SMN2NPSR1RXFP1

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