SCHEMBL7567294

SCHEMBL7567294

Cc1ccc([N+](=O)[O-])c(N)c1CN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
KCNJ1 P48048 1/20 0.47
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
CTSB P07858 1/20 0.42
CYP2A13 Q16696 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL8037120 0.88 MEN1 (0.47) ALDH1A1LMNAMAPTKDM4ERAB9A
SCHEMBL8040498 0.86 MEN1 (0.49) ALDH1A1LMNAMAPTKDM4ERAB9A
SCHEMBL8040471 0.86 MEN1 (0.49) ALDH1A1LMNAMAPTKDM4ERAB9A
SCHEMBL8038946 0.85 MAPT (0.46) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL8040494 0.83 ACHE (0.55) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL8043322 0.80 MEN1 (0.38) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL8027126 0.78 RAB9A (0.45) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL5054804 0.77 POLB (0.54) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL5063513 0.76 POLB (0.64) ALDH1A1SMN1; SMN2LMNAMAPTKCNJ1
SCHEMBL14941460 0.76 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAMAPTKCNJ1

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
EP-0830348-B1 CYCLIC AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-09-04 EP disclosed
US-6110911-A ADMINISTERING NEUROPROTECTANT/ANTICONVULSANT TO PATIENT WARNER-LAMBERT COMPANY (US) 2000-08-29 US disclosed
US-5874426-A USEFUL IN THE TREATMENT OF STROKE, CEREBRAL ISCHEMIA, OR CEREBRAL INFARCTION RESULTING FROM THROMBOEMBOLIC OR HEMORRHAGIC STROKE, CEREBRAL VASOSPASMS, HYPOGLYCEMIA, CARDIAC ARREST, STATUS EPILEPTICUS, ANOXIA, SEIZURE DISORDER WARNER-LAMBERT COMPANY (US) 1999-02-23 US disclosed
EP-0830348-A1 CYCLIC AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-03-25 EP disclosed
WO-1996040650-A1 CYCLIC AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-12-19 WO disclosed