SCHEMBL8092033

SCHEMBL8092033

O=c1[nH]c2cc(Br)cc(CO)c2[nH]c1=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.69
GRIN2D O15399 4/20 0.69
GRIN3B O60391 4/20 0.69
GRIN2A Q12879 4/20 0.69
GRIN2B Q13224 4/20 0.69
GRIN2C Q14957 4/20 0.69
GRIN3A Q8TCU5 4/20 0.69
GRIA1 P42261 2/20 0.57
GRIA2 P42262 2/20 0.57
GRIA3 P42263 2/20 0.57
GRIA4 P48058 2/20 0.57
MEN1 O00255 1/20 0.56
CYP2C9 P11712 1/20 0.56
GRIK1 P39086 1/20 0.56
KMT2A Q03164 1/20 0.56
GRIK2 Q13002 1/20 0.56
GRIK3 Q13003 1/20 0.56
GRIK4 Q16099 1/20 0.56
GRIK5 Q16478 1/20 0.56

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
SCHEMBL7787746 0.85 GRIN1 (0.64) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8078991 0.84 GRIN1 (0.62) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Hydrochloric Acid SCHEMBL8085830 0.82 GRIN1 (0.60) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8614171 0.82 GRIN1 (1.00) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8663738 0.79 GRIN1 (0.57) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8620069 0.79 GRIN1 (0.74) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8085876 0.78 GRIN1 (0.61) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Phosphonic Acid SCHEMBL27489182 0.78 GRIN1 (0.56) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8086902 0.77 GRIN1 (0.55) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8087056 0.77 GRIN1 (0.60) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1193968-A 2,3-dioxo-1,2,3,4-tetrahydro-quinoyxalinyl derivatives NOVARTIS AG (CH) 1998-09-23 CN claimed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP claimed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO claimed
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed