SCHEMBL7477314

SCHEMBL7477314

CCOC(=O)Cn1c(=O)c(=O)[nH]c2ccc3ccc([N+](=O)[O-])cc3c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
GRIA4 P48058 1/20 0.48
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
GRIK3 Q13003 1/20 0.45
GRIK4 Q16099 1/20 0.45
GRIK5 Q16478 1/20 0.45
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL7475364 0.91 GRIK1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL9092206 0.84 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7488589 0.83 ADORA3 (0.44) GRIA1GRIA2GRIA3GRIA4RAB9A
SCHEMBL7486654 0.82 CYP1A2 (0.49) RAB9AMEN1ALDH1A1KMT2A
SCHEMBL8608979 0.81 TSHR (0.40) GRIA1GRIA2GRIA3GRIA4RAB9A
SCHEMBL8487097 0.76 MAPT (0.47) GRIA1GRIA2GRIA3GRIA4RAB9A
SCHEMBL7656452 0.76 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8674575 0.76 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7481432 0.76 TNF (0.45) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7358308 0.75 GRIK1 (0.59) GRIA1GRIA2GRIA3GRIA4GRIK1

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