SCHEMBL7328423

SCHEMBL7328423

C[n+]1ccn2cc(-c3ccc([N+](=O)[O-])cc3)[nH]c(=O)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.42
RAB9A P51151 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
MCL1 Q07820 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
GFER P55789 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TNKS O95271 5/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL7331035 0.86 MAPT (0.48) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL7329545 0.82 TNKS (0.41) MAPTRAB9AMEN1KMT2AMCL1
SCHEMBL7327732 0.81 TNKS (0.39) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL7337601 0.79 TNKS (0.43) TNKSTNKS2PARP1PARP2
SCHEMBL7337908 0.76 SCN10A (0.38) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL15286811 0.74 TNKS (0.59) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL7329217 0.72 TNKS (0.67) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL20401760 0.64 MAPT (0.59) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL3179267 0.61 MAPT (0.62) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL25882279 0.61 HSD17B10 (0.50) MAPTRAB9AALDH1A1GAAPOLB

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-0726900-A1 7H-IMIDAZO(1,2-a)PYRAZINE-8-ONE NMDA RECEPTOR ANTAGONISTS Aventis Pharma S.A. (FR) 1996-08-21 EP disclosed
WO-1995012594-A1 7H-IMIDAZO(1,2-a)PYRAZINE-8-ONE NMDA RECEPTOR ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1995-05-11 WO disclosed