SCHEMBL6607856

SCHEMBL6607856

CCOC(=O)c1nc2cc(-n3ccnc3)c([N+](=O)[O-])cc2nc1OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
GRIK1 P39086 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
GRIK2 Q13002 1/20 0.42
GRIK3 Q13003 1/20 0.42
GRIK4 Q16099 1/20 0.42
GRIK5 Q16478 1/20 0.42
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40

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
SCHEMBL6607136 0.85 ALDH1A1 (0.43) MAPTGRIK1GRIA1GRIA2GRIA3
SCHEMBL5722687 0.84 GRIK1 (0.53) MAPTGRIK1GRIA1GRIA2GRIA3
SCHEMBL6602007 0.83 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2
SCHEMBL6607045 0.80 ALDH1A1 (0.43) MAPTMITFALDH1A1SMN1; SMN2
SCHEMBL6602596 0.78 ALDH1A1 (0.41) MAPTMITFALDH1A1SMN1; SMN2
SCHEMBL6602905 0.76 GFER (0.52) MAPTALDH1A1SMN1; SMN2
SCHEMBL6380913 0.76 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4MITF
SCHEMBL6604726 0.75 ALDH1A1 (0.38) MAPTMITFALDH1A1SMN1; SMN2
SCHEMBL6601059 0.74 GRIA1 (0.42) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL8369082 0.74 PPARG (0.43) MAPTMITFALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020453-B1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-05-19 EP disclosed
US-6348461-B1 CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1020453-A1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed