SCHEMBL4706313

SCHEMBL4706313

CCN(C(=O)C(=O)O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HCAR3 P49019 4/20 0.45
VCAM1 P19320 8/20 0.42
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4706308 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HCAR3VCAM1MEN1
SCHEMBL9301104 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HCAR3VCAM1MEN1
SCHEMBL14896151 0.70 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HCAR3VCAM1MEN1
SCHEMBL688072 0.68 TP53 (0.56) ALDH1A1SMN1; SMN2MEN1NPC1MAPT
SCHEMBL3902768 0.68 DTYMK (0.51) ALDH1A1VCAM1MEN1MAPK1KMT2A
SCHEMBL8697187 0.68 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2HCAR3VCAM1MEN1
SCHEMBL6209266 0.67 SLC9A1 (0.39) ALDH1A1SMN1; SMN2VCAM1MAPT
SCHEMBL6209263 0.67 SLC9A1 (0.39) ALDH1A1SMN1; SMN2VCAM1MAPT
SCHEMBL18525171 0.67 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HCAR3VCAM1MEN1
SCHEMBL30953145 0.66 TSHR (0.58) ALDH1A1VCAM1MAPK1

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-0647137-B1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF UNIV CALIFORNIA (US) 2008-08-13 EP disclosed
EP-0647137-A4 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. UNIV CALIFORNIA WEBER ECKARD (US) 1998-09-16 EP disclosed
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 US disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-05-07 US disclosed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP disclosed
WO-1994000124-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF WEBER ECKARD (US) 1994-01-06 WO disclosed