SCHEMBL6607610

SCHEMBL6607610

Cn1c(=O)c(C(=O)O)nc2cc(F)c([N+](=O)[O-])cc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.42
CFTR P13569 1/20 0.35
ESPL1 Q14674 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6602274 0.84 MAPT (0.43) MAPTHTTKDM4ELMNANPSR1
SCHEMBL15323840 0.75 MAPT (0.76) MAPTHTTKDM4ELMNANPSR1
SCHEMBL9704330 0.74 MAPK1 (0.45) MAPTHTTKDM4ELMNANPSR1
SCHEMBL6602538 0.72 GRIA1 (0.55) MAPTLMNAHPGD
SCHEMBL25219556 0.70 SMN1; SMN2 (0.40) MAPTHTTKDM4ELMNANPSR1
SCHEMBL10479158 0.70 MAPT (0.52) MAPTKDM4ERXFP1SMN1; SMN2ALDH1A1
SCHEMBL30464363 0.70 SMN1; SMN2 (0.40) MAPTHTTKDM4ELMNANPSR1
SCHEMBL21787625 0.69 KDM4E (0.49) MAPTHTTKDM4ELMNANPSR1
SCHEMBL15324212 0.69 MAPT (0.59) MAPTHTTKDM4ELMNANPSR1
SCHEMBL22421718 0.68 MAPT (0.50) MAPTHTTKDM4ELMNANPSR1

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