SCHEMBL8828087

SCHEMBL8828087

O=c1[nH]c2cc([N+](=O)[O-])ccc2cc1P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.55
GRIA2 P42262 2/20 0.55
GRIA3 P42263 2/20 0.55
GRIA4 P48058 2/20 0.55
PARP1 P09874 2/20 0.50
DAO P14920 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
MAPT P10636 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
NOS1 P29475 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL7741263 0.80 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL7257404 0.80 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL3588993 0.77 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL3598675 0.77 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL3600441 0.77 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL8687546 0.77 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL7734991 0.76 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3203267 0.74 DAO (0.58) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4427396 0.73 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL8746891 0.72 GRIA1 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646132-A TREATING CEREBRAL ISCHEMIA ADIR ET COMPAGNIE (FR) 1997-07-08 US disclosed
US-5536709-A INHIBITORS OF HYPERACTIVATION OF EXCITATORY AMINO ACIDS ADIR ET COMPAGNIE (FR) 1996-07-16 US disclosed