SCHEMBL9704916

SCHEMBL9704916

O=C(O)c1nc2cc(Br)cc(Br)c2[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
LMNA P02545 1/20 0.48
GRIK1 P39086 1/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
GRIA4 P48058 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIK2 Q13002 1/20 0.48
GRIK3 Q13003 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIK4 Q16099 1/20 0.48
GRIK5 Q16478 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
CDK9 P50750 4/20 0.39
DYRK1A Q13627 4/20 0.39
DYRK1B Q9Y463 4/20 0.39

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
SCHEMBL9704267 0.79 ALDH1A1 (0.41) LMNAHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL31123058 0.78 DYRK1A (0.58) GRIN2DGRIN3BLMNAGRIK1GRIA1
SCHEMBL9703952 0.76 GRIN2D (0.60) GRIN2DGRIN3BGRIK1GRIA1GRIA2
SCHEMBL9703415 0.74 GRIN2D (0.67) GRIN2DGRIN3BLMNAGRIK1GRIA1
SCHEMBL9703446 0.71 CDK9 (0.40) GRIN2DGRIN3BLMNAGRIK1GRIA1
SCHEMBL11349897 0.70 GRIN2D (0.78) GRIN2DGRIN3BLMNAGRIK1GRIA1
SCHEMBL11349852 0.70 GRIN2D (0.78) GRIN2DGRIN3BLMNAGRIK1GRIA1
SCHEMBL16134513 0.68 L3MBTL1 (0.44) HSD17B10ALDH1A1MAPT
SCHEMBL31620418 0.67 NQO2 (0.36)
SCHEMBL16134547 0.67 NQO2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 WO disclosed