SCHEMBL8090360

SCHEMBL8090360

O=C(Cc1ccsc1)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 1.00
GRIN2D O15399 4/20 1.00
GRIN3B O60391 4/20 1.00
GRIN2A Q12879 4/20 1.00
GRIN2B Q13224 4/20 1.00
GRIN2C Q14957 4/20 1.00
GRIN3A Q8TCU5 4/20 1.00
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
GRIK1 P39086 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
KMT2A Q03164 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
GRIK4 Q16099 1/20 0.46
GRIK5 Q16478 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 0.84 GRIN2D (0.72) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8086055 0.82 GRIN1 (1.00) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8078954 0.82 GRIN1 (0.70) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8086083 0.80 GRIN1 (0.66) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8090298 0.79 GRIN2D (0.65) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8090432 0.78 GRIN1 (0.66) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8087213 0.78 GRIN2D (0.64) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8079029 0.78 GRIN2D (0.64) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8090433 0.78 GRIN1 (0.66) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8085840 0.78 GRIN1 (0.64) 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
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
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