SCHEMBL5160586

SCHEMBL5160586

O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1C=NO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 0.64
CYP3A4 P08684 4/20 0.64
CYP2C19 P33261 4/20 0.64
CYP2D6 P10635 2/20 0.64
CYP1A2 P05177 1/20 0.64
BIRC5 O15392 1/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
EEF2K O00418 1/20 0.42
PLK4 O00444 1/20 0.42
IKBKB O14920 1/20 0.42
DYRK3 O43781 1/20 0.42
PIM1 P11309 1/20 0.42
CDK2 P24941 1/20 0.42
AKT1 P31749 1/20 0.42

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
SCHEMBL5162058 1.00 CYP2C9 (0.64) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL5157472 0.86 CYP2C9 (0.66) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL5157475 0.86 CYP2C9 (0.66) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL5161837 0.84 CYP2C9 (0.62) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL5159334 0.84 CYP2C9 (0.67) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL5161844 0.84 CYP2C9 (0.62) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL5159328 0.84 CYP2C9 (0.67) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL6544425 0.83 CYP2C9 (0.72) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL5159149 0.83 CYP2C9 (0.66) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL5176260 0.83 CYP2C9 (0.61) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133474-B1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-02-21 EP claimed
EP-1133474-A4 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2005-02-16 EP claimed
CN-1129582-C 3-substituted-4-arylquinolin-2-one derivatives as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 2003-12-03 CN claimed
CN-1329599-A 3-substituted-4-arylquinolin-2-one derivatives as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 2002-01-02 CN claimed
EP-1133474-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-19 EP claimed
US-6184231-B1 NEUROPROTECTANTS; TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, TRAUMATIC BRAIN INJURY, SEXUAL DYSFUNCTION BRISTOL-MYERS SQUIBB 2001-02-06 US claimed
WO-2000034244-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-15 WO claimed
EP-1133474-B1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-02-21 EP disclosed
EP-1133474-A4 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2005-02-16 EP disclosed
CN-1129582-C 3-substituted-4-arylquinolin-2-one derivatives as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 2003-12-03 CN disclosed
CN-1329599-A 3-substituted-4-arylquinolin-2-one derivatives as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 2002-01-02 CN disclosed
EP-1133474-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-19 EP disclosed
US-6184231-B1 NEUROPROTECTANTS; TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, TRAUMATIC BRAIN INJURY, SEXUAL DYSFUNCTION BRISTOL-MYERS SQUIBB 2001-02-06 US disclosed
WO-2000034244-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-15 WO disclosed