SCHEMBL7953522

SCHEMBL7953522

CC(=O)Oc1ccc(-n2c(=O)c3c[nH]c4ccccc4n-3c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.54
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.42
AHR P35869 1/20 0.41
GLA P06280 1/20 0.39
MAPT P10636 5/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
BCHE P06276 1/20 0.37
HTT P42858 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ELANE P08246 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7953532 0.85 MAPT (0.51) NPSR1ADORA3MAPTALDH1A1HPGD
SCHEMBL7949717 0.82 MAPT (0.53) NPSR1ADORA3MAPTALDH1A1MEN1
SCHEMBL7949735 0.82 KMT2A (0.42) NPSR1MAPTALDH1A1HPGDHTT
SCHEMBL7941792 0.81 SMN1; SMN2 (0.43) NPSR1ADORA3ALDH1A1HTTKMT2A
SCHEMBL7949731 0.81 HSP90AA1 (0.41) NPSR1ADORA3ADORA2AADORA1MAPT
SCHEMBL7941798 0.81 PGR (0.46) ATMMEN1KMT2AGAA
SCHEMBL7953535 0.81 METAP2 (0.47) NPSR1ADORA3MAPTALDH1A1MEN1
SCHEMBL7953520 0.81 MAPT (0.42) NPSR1ADORA3MAPTALDH1A1HTT
SCHEMBL7951665 0.79 LMNA (0.40) NPSR1ADORA3ADORA1MAPTALDH1A1
SCHEMBL7941785 0.79 LMNA (0.39) NPSR1ADORA3HTTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555391-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-08-18 EP claimed
WO-1992007853-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-05-14 WO claimed
US-6268496-B1 GAMMA-AMINOBUTYRIC ACID RECEPTOR LIGANDS NEUROGEN CORPORATION 2001-07-31 US disclosed
EP-0555391-B1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2000-07-12 EP disclosed
US-5744602-A PSYCHOLOGICAL DISORDERS, ANTICONVULSANTS NEUROGEN CORPORATION (US) 1998-04-28 US disclosed
EP-0555391-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-08-18 EP disclosed
WO-1992007853-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-05-14 WO disclosed