SCHEMBL3284596

SCHEMBL3284596

CCCCCc1c(O)c(=O)[nH]c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.79
ALDH1A1 P00352 11/20 0.79
HPGD P15428 7/20 0.79
HSD17B10 Q99714 7/20 0.79
GAA P10253 1/20 0.79
RAB9A P51151 2/20 0.60
DAO P14920 1/20 0.58
DDO Q99489 1/20 0.58
MAPT P10636 1/20 0.54
IDE P14735 1/20 0.54
MPI P34949 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
USP2 O75604 1/20 0.53
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL1900540 0.99 KDM4E (0.80) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL2754183 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL12204302 0.87 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL15375702 0.84 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL2500290 0.82 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL29722594 0.79 RAB9A (0.77) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL15338397 0.79 RAB9A (0.77) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL3451421 0.78 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4921978 0.78 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL19841047 0.77 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10GAA

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575589-B1 ATROPISOMERS OF 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2010-06-30 EP disclosed
EP-1575589-A4 ATROPISOMERS OF 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2008-05-21 EP disclosed
US-20080050337-A1 METHOD FOR USING CALCIUM-SENSITIVE POTASSIUM CHANNEL AGONIST FOR DELIVERING A MEDICANT TO AN ABNORMAL BRAIN REGION AND/OR A MALIGNANT TUMOR CEDARS-SINAI MEDICAL CENTER (US) 2008-02-28 US disclosed
US-7211561-B2 Method for inducing selective cell death of malignant cells by activation of calcium-activated potassium channels (KCa) CEDARS-SINAI MEDICAL CENTER (US) 2007-05-01 US disclosed
EP-1133474-B1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-02-21 EP disclosed
US-7179920-B2 3-thia-4-arylquinolin-2-one derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-20 US disclosed
US-7151180-B2 3-((hetero)arylthio)-1,2-dihydroquinolin-2-ones such as 3-[(4-aminophenyl)thio]-4-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-2(1H)-quinoline; erectile dysfunction and irritable bowel syndrome BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-19 US disclosed
US-20060280730-A1 INDUCTION OF APOPTOSIS OF MALIGNANT CELLS BY ACTIVATION OF CALCIUM-ACTIVATED POTASSIUM CHANNELS CEDARS-SINAI MEDICAL CENTER (US) 2006-12-14 US disclosed
US-7145013-B2 3-thia-4-arylquinolin-2-one derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
US-7132542-B2 Compounds for the treatment of male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-07 US disclosed
EP-0942723-A1 4-ARYL-3-HYDROXYQUINOLIN-2-ONE DERIVATIVES AS ION CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-09-22 EP disclosed
US-5922735-A CALCIUM-ACTIVATED POTASSIUM CHANNELS AND ARE USEFUL TREATING THE DISORDER RESPONSIVE TO THE OPENING OF THE POTASSIUM CHANNELS SUCH AS ISCHEMIA, CONVULSIONS, ASTHMA, IRRITABLE BOWEL SYNDROME, MIGRAINE, TRAUMATIC BRAIN INJURY BRISTOL-MYERS SQUIBB COMPANY (US) 1999-07-13 US disclosed
US-5922735-A CALCIUM-ACTIVATED POTASSIUM CHANNELS AND ARE USEFUL TREATING THE DISORDER RESPONSIVE TO THE OPENING OF THE POTASSIUM CHANNELS SUCH AS ISCHEMIA, CONVULSIONS, ASTHMA, IRRITABLE BOWEL SYNDROME, MIGRAINE, TRAUMATIC BRAIN INJURY BRISTOL-MYERS SQUIBB COMPANY (US) 1999-07-13 US disclosed
US-5922735-A CALCIUM-ACTIVATED POTASSIUM CHANNELS AND ARE USEFUL TREATING THE DISORDER RESPONSIVE TO THE OPENING OF THE POTASSIUM CHANNELS SUCH AS ISCHEMIA, CONVULSIONS, ASTHMA, IRRITABLE BOWEL SYNDROME, MIGRAINE, TRAUMATIC BRAIN INJURY BRISTOL-MYERS SQUIBB COMPANY (US) 1999-07-13 US disclosed
US-5892045-A 4-aryl-3-hydroxyquinolin-2-one derivatives as ion channel modulators BRISTOL-MYERS SQUIBB COMPANY (US) 1999-04-06 US disclosed
US-5892045-A 4-aryl-3-hydroxyquinolin-2-one derivatives as ion channel modulators BRISTOL-MYERS SQUIBB COMPANY (US) 1999-04-06 US disclosed
US-5892045-A 4-aryl-3-hydroxyquinolin-2-one derivatives as ion channel modulators BRISTOL-MYERS SQUIBB COMPANY (US) 1999-04-06 US disclosed
US-5767130-A Use of kainic acid antagonists to prevent toxic side effects of NMDA antagonists OLNEY JOHN W (US) 1998-06-16 US disclosed
WO-1998023273-A1 4-ARYL-3-HYDROXYQUINOLIN-2-ONE DERIVATIVES AS ION CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-04 WO disclosed
WO-1998023273-A1 4-ARYL-3-HYDROXYQUINOLIN-2-ONE DERIVATIVES AS ION CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-04 WO disclosed