SCHEMBL7786675

SCHEMBL7786675

COc1cc2[nH]c(=O)c(=O)[nH]c2c(OC(=O)Cc2ccccc2)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.65
GRIN3B O60391 3/20 0.65
GRIN1 Q05586 3/20 0.65
GRIN2A Q12879 3/20 0.65
GRIN2B Q13224 3/20 0.65
GRIN2C Q14957 3/20 0.65
GRIN3A Q8TCU5 3/20 0.65
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 1/20 0.43
KDM4E B2RXH2 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL7779824 0.79 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21676458 0.77 GRIN2D (0.74) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9628298 0.73 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7786972 0.73 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL9628295 0.72 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7784652 0.70 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9641650 0.70 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL30233793 0.70 L3MBTL1 (0.60) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1171372 0.70 L3MBTL1 (0.60) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7810790 0.69 GRIN2D (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 US disclosed
US-6147075-A ANALGESICS; PSYCHOLOGICAL DISORDERS COCENSYS, INC. (US) 2000-11-14 US disclosed
US-5977107-A Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonists COCENSYS, INC. (US) 1999-11-02 US disclosed
US-5631373-A NERVOUS SYSTEM DISORDERS 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) 1997-05-20 US disclosed