SCHEMBL7983678

SCHEMBL7983678

CC(=O)Nc1c([N+](=O)[O-])cc(Br)c2c1CN(C(C)=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 4/20 0.41
MAPT P10636 8/20 0.39
GAA P10253 4/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 4/20 0.37
CASP6 P55212 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR174 Q9BXC1 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6783364 0.95 BAZ2B (0.41) BAZ2BMAPTGAAMAPK1KDM4E
SCHEMBL6780170 0.87 GRIA1 (0.42) MAPTGAAMAPK1KDM4ELMNA
SCHEMBL6790298 0.82 GRIA1 (0.42) MAPTGAAMAPK1KDM4ELMNA
SCHEMBL6790290 0.82 MAPT (0.41) MAPTGAAMAPK1KDM4EALDH1A1
SCHEMBL6790546 0.80 GRIA1 (0.45) MAPTGAAMAPK1KDM4EALDH1A1
SCHEMBL6785386 0.79 MAPT (0.39) MAPTGAAMAPK1KDM4EALDH1A1
SCHEMBL6785621 0.78 GAA (0.38) MAPTGAAMAPK1KDM4EALDH1A1
SCHEMBL7979886 0.78 BAZ2B (0.51) BAZ2BMAPTGAAALDH1A1LMNA
SCHEMBL8673705 0.75 MAPT (0.39) MAPTGAAMAPK1KDM4EALDH1A1
SCHEMBL14287201 0.74 ALDH1A1 (0.40) MAPTMAPK1KDM4EALDH1A1LMNA

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