SCHEMBL6604068

SCHEMBL6604068

CCOC(=O)c1nc2ccc(C(F)(F)F)cc2[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.53
NPSR1 Q6W5P4 1/20 0.47
NPBWR1 P48145 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
SIRT2 Q8IXJ6 3/20 0.45
SIRT1 Q96EB6 2/20 0.45
SIRT3 Q9NTG7 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
MAOB P27338 1/20 0.43
DGAT1 O75907 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL9705656 0.91 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL6377630 0.84 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10PKN1
SCHEMBL6377225 0.81 SIRT2 (0.56) ALDH1A1SIRT2SIRT1SIRT3
SCHEMBL3995236 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL6604565 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL6602046 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL9704461 0.79 LMNA (0.43) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL880365 0.78 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6705309 0.78 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL31423182 0.78 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10NPSR1

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