SCHEMBL4707702

SCHEMBL4707702

O=c1[nH]c2ccc(I)cc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 10/20 0.56
GRIN3B O60391 10/20 0.56
GRIN1 Q05586 10/20 0.56
GRIN2A Q12879 10/20 0.56
GRIN2B Q13224 10/20 0.56
GRIN2C Q14957 10/20 0.56
GRIN3A Q8TCU5 10/20 0.56
KDM4E B2RXH2 3/20 0.56
GRIA1 P42261 4/20 0.48
GRIA2 P42262 4/20 0.48
GRIA3 P42263 4/20 0.48
GRIA4 P48058 4/20 0.48
MAPT P10636 3/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
BLM P54132 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL3348374 0.86 GAA (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30807512 0.73 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30807513 0.73 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31495016 0.71 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL437550 0.71 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL121242 0.71 KDM4E (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30973144 0.71 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL383145 0.71 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2125814 0.71 PARP1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31236118 0.71 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297162-B1 COMPOUNDS AMURA THERAPEUTICS LTD (GB) 2012-08-15 EP disclosed
EP-2283022-B1 FURO [3, 2-B]PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-07-18 EP disclosed
WO-2009112826-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 WO disclosed
EP-0647137-B1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF UNIV CALIFORNIA (US) 2008-08-13 EP disclosed
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 US disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-05-07 US disclosed
WO-1994000124-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF WEBER ECKARD (US) 1994-01-06 WO disclosed