SCHEMBL6601059

SCHEMBL6601059

CCOC(=O)c1nc2cc(-n3ccc(=O)c(N)c3)c([N+](=O)[O-])cc2nc1OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.42
GRIA2 P42262 2/20 0.42
GRIA3 P42263 2/20 0.42
GRIA4 P48058 2/20 0.42
MITF O75030 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KCNMA1 Q12791 1/20 0.36
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MET P08581 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
LTK P29376 1/20 0.35
GRK5 P34947 1/20 0.35
CDK8 P49336 1/20 0.35
PRKX P51817 1/20 0.35

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
SCHEMBL6602490 0.90 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4MITF
SCHEMBL6603200 0.90 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4MITF
SCHEMBL6605942 0.83 MEN1 (0.43) GRIA1GRIA2GRIA3GRIA4MITF
SCHEMBL6604555 0.81 ALDH1A1 (0.44) MITFALDH1A1SMN1; SMN2PTGS1PTGS2
SCHEMBL6604288 0.81 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL6607136 0.81 ALDH1A1 (0.43) GRIA1GRIA2GRIA3GRIA4MITF
SCHEMBL6380913 0.80 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4MITF
SCHEMBL6603316 0.77 ALDH1A1 (0.45) MITFALDH1A1SMN1; SMN2PTGS1PTGS2
SCHEMBL6376052 0.77 ALDH1A1 (0.45) MITFALDH1A1SMN1; SMN2PTGS1PTGS2
SCHEMBL6380676 0.75 ALDH1A1 (0.44) MITFALDH1A1SMN1; SMN2PTGS1PTGS2

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