SCHEMBL7469818

SCHEMBL7469818

Cc1ccc([N+](=O)[O-])c(N)c1CO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.47
CYP3A4 P08684 4/20 0.47
ALDH1A1 P00352 4/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 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
SCHEMBL7466959 0.84 TSHR (0.49) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL7566838 0.83 TSHR (0.47) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL1584530 0.82 TSHR (0.48) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL2056614 0.81 TSHR (0.57) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL8640530 0.80 TSHR (0.45) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL8640535 0.80 TSHR (0.45) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL10756385 0.79 TSHR (0.48) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL2656793 0.76 TSHR (0.55) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL8037120 0.75 MEN1 (0.47) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL8548663 0.75 ALDH1A1 (0.41) TSHRCYP3A4ALDH1A1RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1125818-C Amino acid derivatives of substituted quinoxaline 2, 3 -dione derivativesa as glutamate receptor antagonists WARNER LAMBERT CO (US) 2003-10-29 CN disclosed
CN-1100766-C Alkylamine derivatives of substituted quinoxaline 2, 3-diones as glutamate receptor antagonists WARNER LAMBERT CO (US) 2003-02-05 CN disclosed
EP-0837854-B1 ALKYL AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-12-11 EP disclosed
EP-0832074-B1 AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-09-04 EP disclosed
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
CN-1187190-A Amino acid derivatives of substituted quinoxaline 2, 3-dione derivatives as glutamate receptor antagonists WARNER LAMBERT CO (US) 1998-07-08 CN disclosed
CN-1186488-A Alkylamine derivatives of substituted quinoxaline 2, 3-diones as glutamate receptor antagonists WARNER LAMBERT CO (US) 1998-07-01 CN disclosed
EP-0837854-A1 ALKYL AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-04-29 EP disclosed
EP-0832074-A1 AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-04-01 EP 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
US-5654303-A FOR TREATING NERVOUS SYSTEM OR CARDIOVASCULAR SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1997-08-05 US disclosed
US-5614508-A ANTIISCHEMIC AGENTS, ALZHEIMERS, STROKE OR NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1997-03-25 US disclosed
WO-1996040649-A1 AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-12-19 WO 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
WO-1996040651-A1 ALKYL AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-12-19 WO disclosed