SCHEMBL8669487

SCHEMBL8669487

CC(=O)Nc1c(CC(Br)C(=O)O)cc2c(c1[N+](=O)[O-])CCC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 14/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL21722656 0.78 GRIN2D (0.41) NLRP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29575133 0.78 GRIN2D (0.41) NLRP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29573999 0.78 GRIN2D (0.43) NLRP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21722642 0.78 GRIN2D (0.43) NLRP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23033128 0.76 GRIN2D (0.41) NLRP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29284835 0.76 GRIN2D (0.41) NLRP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8667957 0.74 MAPT (0.36) NLRP3KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL11181508 0.73 GRIN2D (0.39) NLRP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30951209 0.73 NLRP3 (0.41) NLRP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29285003 0.73 NLRP3 (0.41) NLRP3GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5721234-A TREATING CONVULSIONS, ANXIETY, CEREBRAL HYPOXIA/ISCHEMIA, PARKINSON*S DISEASE WARNER-LAMBERT COMPANY (US) 1998-02-24 US disclosed
WO-1998005651-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYL QUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1998-02-12 WO disclosed
WO-1996017832-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-06-13 WO disclosed