SCHEMBL6602007

SCHEMBL6602007

CCOC(=O)c1nc2cc(Cn3ccnc3)c([N+](=O)[O-])cc2nc1OC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 7/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TBXAS1 P24557 1/20 0.36

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
SCHEMBL6607856 0.83 MAPT (0.45) ALDH1A1SMN1; SMN2MAPT
SCHEMBL6604726 0.79 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL6607045 0.79 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL6606958 0.77 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL6602596 0.77 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2MAPTPTGS1
SCHEMBL6606961 0.75 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL6607136 0.74 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2MAPTPTGS1
SCHEMBL8369082 0.73 PPARG (0.43) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL6603316 0.70 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL6376052 0.70 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2KDM4EMAPT

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