SCHEMBL7047207

SCHEMBL7047207

O=C1Nc2c(cc(Br)c(Br)c2[N+](=O)[O-])C(=O)C1=NOC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
MDM2 Q00987 1/20 0.37
ALDH1A1 P00352 8/20 0.36
KMT2A Q03164 8/20 0.36
HPGD P15428 5/20 0.36
F2 P00734 1/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MEN1 O00255 6/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MAOA P21397 1/20 0.33

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
SCHEMBL7053204 0.92 MAPT (0.38) MAPTMDM2ALDH1A1KMT2AHPGD
SCHEMBL7051530 0.84 CCNB2 (0.35) ALDH1A1
SCHEMBL7049493 0.84 MAPT (0.38) MAPTMDM2ALDH1A1KMT2AHPGD
SCHEMBL7055913 0.84 MAPT (0.38) MAPTMDM2ALDH1A1KMT2AHPGD
SCHEMBL7048280 0.80 MAPT (0.38) MAPTMDM2ALDH1A1KMT2AHPGD
SCHEMBL7051874 0.80 MAPT (0.38) MAPTMDM2ALDH1A1KMT2AHPGD
SCHEMBL7053801 0.78 ALDH1A1 (0.33) MAPTALDH1A1CA12CA1CA2
SCHEMBL7053794 0.78 ALDH1A1 (0.33) MAPTALDH1A1CA12CA1CA2
SCHEMBL7049532 0.77 KMT2A (0.43) MAPTALDH1A1KMT2AHPGDF2
SCHEMBL7052613 0.77 MAPT (0.39) MAPTMDM2ALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706396-B1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE OREGON STATE (US) 2003-05-02 EP disclosed
EP-0706396-A4 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE OREGON STATE (US) 1998-12-09 EP disclosed
US-5652368-A NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-07-29 US disclosed
EP-0706396-A1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 1996-04-17 EP disclosed
US-5475007-A Preventing convulsions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-12-12 US disclosed
WO-1994027605-A1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE 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) 1994-12-08 WO disclosed