SCHEMBL7417792

SCHEMBL7417792

N#Cc1cc2[nH]c(=O)c3n[nH]c(=O)n3c2cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.56
GRIA2 P42262 3/20 0.56
GRIA3 P42263 3/20 0.56
GRIA4 P48058 3/20 0.56
MAPT P10636 3/20 0.56
CYP1A2 P05177 2/20 0.56
ALOX15 P16050 1/20 0.56
GRIN2D O15399 3/20 0.39
GRIN3B O60391 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN3A Q8TCU5 3/20 0.39
GRM6 O15303 1/20 0.39
HPGD P15428 2/20 0.38
BLM P54132 2/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL7354337 0.80 GRIN2D (0.42) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8911220 0.80 GRIN2D (0.42) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL7414612 0.79 CA12 (0.47) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL7351758 0.78 MEN1 (0.36) HPGDPOLB
SCHEMBL8911406 0.75 GRIK1 (0.65) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7353512 0.74 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL1662279 0.74 GRIA2 (1.00) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL30905563 0.74 GRIA2 (1.00) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8911413 0.73 PDE2A (0.43) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8912067 0.73 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633885-A1 TRIAZOLOQUINOXALIN-1,4-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-01-18 EP disclosed
WO-1993006103-A1 TRIAZOLOQUINOXALIN-1,4-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-04-01 WO disclosed