SCHEMBL6605007

SCHEMBL6605007

CCOC(=O)c1nc2cc(NCc3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])cc2nc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 5/20 0.45
CRHBP P24387 2/20 0.45
CRHR2 Q13324 2/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
MET P08581 1/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 2/20 0.41
RECQL P46063 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
SCHEMBL6604072 0.83 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6607045 0.77 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6602596 0.75 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8369082 0.75 PPARG (0.43) MAPTKMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL6604726 0.72 ALDH1A1 (0.38) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6602084 0.72 MEN1 (0.44) MAPTMEN1KMT2AGAA
SCHEMBL6604555 0.71 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11246229 0.71 MAPT (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6607136 0.71 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL6603316 0.71 ALDH1A1 (0.45) MAPTMEN1KMT2AALDH1A1SMN1; 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