SCHEMBL9704201

SCHEMBL9704201

CN(C)C(=O)NC(=O)c1nc2cc(Cl)c(Cl)cc2nc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIA1 P42261 3/20 0.36
GRIA2 P42262 3/20 0.36
GRIA3 P42263 3/20 0.36
GRIA4 P48058 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
GLP1R P43220 6/20 0.35
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
GRIK3 Q13003 2/20 0.33
GRIK4 Q16099 2/20 0.33

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
SCHEMBL11278799 0.80 MMP1 (0.40) MMP1MMP2MMP3GRIN2DGRIN3B
SCHEMBL2548424 0.76 MMP1 (0.42) APEX1MMP1MMP2MMP3GRIN2D
SCHEMBL9705662 0.72 RAB9A (0.44) TSHRKDM4E
6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid SCHEMBL4287210 0.72 GRIN2D (0.53) MMP1MMP2MMP3GRIN2DGRIN3B
SCHEMBL9382590 0.68 S1PR2 (0.44) APEX1TSHR
SCHEMBL2552563 0.67 GLP1R (0.66) GLP1RKDM4E
2,3-Dihydroxy-6,7-Dichloroquinoxaline SCHEMBL1259521 0.67 MMP1 (0.50) MMP1MMP2MMP3GLP1RPGK1
SCHEMBL12583519 0.62 HRH4 (0.44) MMP1MMP2MMP3GLP1RPGK1
SCHEMBL31456082 0.60 GLP1R (0.48) MMP1MMP2MMP3GRIN2DGRIN3B
SCHEMBL9703410 0.60 GRIN2D (0.68) GRIN2DGRIN3BGRIA1GRIA2GRIA3

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