SCHEMBL8085840

SCHEMBL8085840

O=C(Cc1ccccc1Cl)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.64
GRIN2D O15399 3/20 0.64
GRIN3B O60391 3/20 0.64
GRIN2A Q12879 3/20 0.64
GRIN2B Q13224 3/20 0.64
GRIN2C Q14957 3/20 0.64
GRIN3A Q8TCU5 3/20 0.64
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 1/20 0.47
GRIK1 P39086 1/20 0.47
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
GRIK2 Q13002 1/20 0.47
GRIK3 Q13003 1/20 0.47
GRIK4 Q16099 1/20 0.47
GRIK5 Q16478 1/20 0.47
ERCC1 P07992 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
SCHEMBL8085710 0.86 GRIN2D (0.72) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8078954 0.84 GRIN1 (0.70) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8086083 0.84 GRIN1 (0.66) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8087147 0.83 GRIN2D (0.59) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8086905 0.81 GRIN2D (0.62) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8563630 0.79 GRIN1 (0.63) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8087304 0.79 GRIN1 (0.63) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8078843 0.79 GRIN1 (0.71) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Bromide SCHEMBL8092051 0.78 GRIN1 (0.61) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8092107 0.78 GRIN2D (0.62) 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 5 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
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