SCHEMBL7980894

SCHEMBL7980894

Nc1c([N+](=O)[O-])cc(Br)c2c1CCN(Cc1cccc(Cl)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
RECQL P46063 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CLPP Q16740 5/20 0.43
SIGMAR1 Q99720 1/20 0.42
MAPK1 P28482 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL7981495 0.90 MEN1 (0.46) GAAMEN1KMT2ADRD2DRD4
SCHEMBL7970219 0.86 MEN1 (0.46) GAAMEN1KMT2ADRD2DRD4
SCHEMBL7983703 0.85 BRS3 (0.45) GAADRD2DRD3CLPPSIGMAR1
SCHEMBL7970103 0.85 MEN1 (0.50) GAAMEN1KMT2AATMDRD2
SCHEMBL7983931 0.81 DRD4 (0.43) DRD2DRD4DRD3CLPPMAPK1
SCHEMBL7984338 0.80 SIGMAR1 (0.45) GAAMEN1KMT2ADRD2DRD4
SCHEMBL7981751 0.78 SIGMAR1 (0.51) SIGMAR1
SCHEMBL6790350 0.77 GRIA1 (0.51) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL7983949 0.77 DRD4 (0.43) DRD2DRD4DRD3CLPPMAPK1
SCHEMBL6789476 0.75 MAPT (0.42) GAAMAPK1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197771-B1 NERVOUS SYSTEM DISORDERS; ANTIISCHEMIC AGENTS; ALZHEIMER'SDISEASE; PARKINSON'S DISEASE; HUNTINGTON'S DISEASE WARNER-LAMBERT COMPANY 2001-03-06 US claimed
WO-1996028445-A1 NOVEL GLUTAMATE (AMPA/KAINATE) RECEPTOR ANTAGONISTS: N-SUBSTITUTED FUSED AZACYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-09-19 WO claimed
US-6197771-B1 NERVOUS SYSTEM DISORDERS; ANTIISCHEMIC AGENTS; ALZHEIMER'SDISEASE; PARKINSON'S DISEASE; HUNTINGTON'S DISEASE WARNER-LAMBERT COMPANY 2001-03-06 US disclosed
US-6057313-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-05-02 US disclosed
WO-1996028445-A1 NOVEL GLUTAMATE (AMPA/KAINATE) RECEPTOR ANTAGONISTS: N-SUBSTITUTED FUSED AZACYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-09-19 WO disclosed