SCHEMBL6604072

SCHEMBL6604072

CCOC(=O)c1nc2cc(NCc3ccc(OC)cc3)c([N+](=O)[O-])cc2nc1OCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 9/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 4/20 0.45
LMNA P02545 2/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
PTGER4 P35408 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6605007 0.83 MAPT (0.50) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL6604555 0.78 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL6376052 0.78 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL6603316 0.78 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL6380676 0.76 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL6381602 0.76 GLP1R (0.49) ALDH1A1HTTMAPTKMT2ACRHBP
SCHEMBL6377194 0.76 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL6607045 0.74 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL6605451 0.74 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL6602905 0.72 GFER (0.52) ALDH1A1MAPTKMT2AMEN1SMN1; 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