SCHEMBL9038869

SCHEMBL9038869

O=c1[nH]c2cc([N+](=O)[O-])ccc2n2cnnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
GRIA1 P42261 3/20 0.56
GRIA2 P42262 3/20 0.56
GRIA3 P42263 3/20 0.56
GRIA4 P48058 3/20 0.56
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
PARP1 P09874 2/20 0.46
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MPI P34949 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9037104 0.81 GRIA1 (0.62) POLBGRIA1GRIA2GRIA3GRIA4
SCHEMBL29893296 0.79 PARP1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL19036232 0.79 HRH4 (0.54) HRH4HRH3ALDH1A1
SCHEMBL9037382 0.76 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9038799 0.75 GRIA1 (0.68) POLBGRIA1GRIA2GRIA3GRIA4
SCHEMBL30273081 0.74 POLB (1.00) POLBGRIA1GRIA2GRIA3GRIA4
SCHEMBL29893237 0.74 TP53 (0.61) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL7353512 0.74 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9037767 0.72 GRIA1 (1.00) POLBGRIA1GRIA2GRIA3GRIA4
SCHEMBL23576679 0.71 PARP1 (0.46) GRIA1GRIA2GRIA3GRIA4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518530-B1 Improvements in or relating to excitatory amino acid receptor antagonists LILLY CO ELI (US) 1996-10-09 EP disclosed
US-5196421-A Treatment of neurological disorders ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0518530-A2 Improvements in or relating to excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1992-12-16 EP disclosed
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 US disclosed