SCHEMBL1269876

SCHEMBL1269876

O=C1N=c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2=NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
GPR35 Q9HC97 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
HIF1A Q16665 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.41
TXNRD1 Q16881 1/20 0.40

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
SCHEMBL7344459 0.82 MAPK1 (0.39) ALDH1A1GPR35TDP1MAPTKMT2A
SCHEMBL8903978 0.81 ATM (0.38) ALDH1A1TDP1MAPTHPGDMAPK1
SCHEMBL8085829 0.81 ALDH1A1 (0.43) ALDH1A1GPR35TDP1MAPTKMT2A
SCHEMBL8085548 0.81 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1CYP3A4
SCHEMBL21292987 0.77 VCAM1 (0.47) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL157744 0.74 CYP3A4 (0.45) ALDH1A1GPR35TDP1MAPTKMT2A
SCHEMBL8194088 0.73 SMN1; SMN2 (0.46) ALDH1A1GPR35TDP1MAPTKMT2A
SCHEMBL30389963 0.72 CYP3A4 (0.43) ALDH1A1GPR35TDP1MAPTHPGD
SCHEMBL1998053 0.72 CYP3A4 (0.43) ALDH1A1GPR35TDP1MAPTKMT2A
SCHEMBL1305456 0.72 PTPRC (0.52) ALDH1A1GPR35TDP1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7892755-B2 Of nitroquinoxaline-2,3-diones or ellagic acid as binding ligands for G protein coupled receptor 35; antidiabetic agents; anticarcinogenic agents for gastrointestinal cancer; obesity, immunotherapy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-22 US claimed
EP-1788390-B1 SCREENING METHOD TAKEDA PHARMACEUTICAL (JP) 2010-04-14 EP claimed
US-20080103215-A1 Screening Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-01 US claimed
EP-1788390-A1 SCREENING METHOD Takeda Pharmaceutical Company Limited (JP) 2007-05-23 EP claimed
EP-0778023-B1 Product comprising rapamycin or particular derivatives and an NMDA or AMPA antagonist for use for the treatment of epilepsy or Huntington's Disease, and the use of rapamycin or particular derivatives for the manufacture of a medicament for the treatment of epilepsy or Huntington's Disease. WYETH CORP (US) 2003-03-12 EP claimed
US-5834465-A FOR PROTECTING BRAIN AGAINST ACUTE DAMAGE IN STROKE, EPILEPSY, TRAUMA WASHINGTON UNIVERSITY (US) 1998-11-10 US claimed
EP-0778023-A1 Neuroprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1997-06-11 EP claimed
US-7892755-B2 Of nitroquinoxaline-2,3-diones or ellagic acid as binding ligands for G protein coupled receptor 35; antidiabetic agents; anticarcinogenic agents for gastrointestinal cancer; obesity, immunotherapy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-22 US disclosed
EP-1788390-B1 SCREENING METHOD TAKEDA PHARMACEUTICAL (JP) 2010-04-14 EP disclosed
US-20080103215-A1 Screening Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-01 US disclosed
EP-1788390-A1 SCREENING METHOD Takeda Pharmaceutical Company Limited (JP) 2007-05-23 EP disclosed
US-6974814-B2 Neuropharmacological treatment of sleep-related breathing disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-12-13 US disclosed
US-20030236228-A1 Neuropharmacological treatment of sleep-related breathing disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2003-12-25 US disclosed
US-6555564-B1 Neuropharmacological treatments of sleep-related breathing disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2003-04-29 US disclosed
EP-0778023-B1 Product comprising rapamycin or particular derivatives and an NMDA or AMPA antagonist for use for the treatment of epilepsy or Huntington's Disease, and the use of rapamycin or particular derivatives for the manufacture of a medicament for the treatment of epilepsy or Huntington's Disease. WYETH CORP (US) 2003-03-12 EP disclosed
WO-2000051590-A2 NEUROPHARMACOLOGICAL TREATMENT OF SLEEP-RELATED BREATHING DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-09-08 WO disclosed
EP-0778023-A1 Neuroprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1997-06-11 EP disclosed