SCHEMBL8668258

SCHEMBL8668258

CC(=O)Nc1c([N+](=O)[O-])cc(Br)c2c1CC(OC(C)=O)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 2/20 0.36
LMNA P02545 4/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 3/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GALR2 O43603 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
CCR6 P51684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8673705 0.79 MAPT (0.39) MAPTGAAKDM4EMAPK1LMNA
SCHEMBL8668624 0.73 RXFP1 (0.40) MAPTKDM4ELMNANPC1RAB9A
SCHEMBL6780170 0.73 GRIA1 (0.42) MAPTGAAKDM4EMAPK1LMNA
SCHEMBL7983678 0.72 BAZ2B (0.41) MAPTGAAKDM4EMAPK1LMNA
SCHEMBL6790290 0.72 MAPT (0.41) MAPTGAAKDM4EMAPK1LMNA
SCHEMBL6790298 0.70 GRIA1 (0.42) MAPTGAAKDM4EMAPK1LMNA
SCHEMBL6783364 0.70 BAZ2B (0.41) MAPTGAAKDM4EMAPK1LMNA
SCHEMBL5902062 0.70 GAA (0.50) MAPTGAAKDM4ELMNAKMT2A
SCHEMBL6785386 0.69 MAPT (0.39) MAPTGAAKDM4EMAPK1LMNA
SCHEMBL6790546 0.68 GRIA1 (0.45) MAPTGAAKDM4EMAPK1LMNA

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
WO-1996017832-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-06-13 WO claimed
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