SCHEMBL7052947

SCHEMBL7052947

O=C1Nc2cc(Br)c(Br)cc2C(=NOC(=O)c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
HPGD P15428 5/20 0.43
ALDH1A1 P00352 4/20 0.43
F2 P00734 1/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
HSP90AA1 P07900 3/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCR6 P51684 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37
MAPT P10636 5/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 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
SCHEMBL7049532 0.90 KMT2A (0.43) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7050444 0.88 KMT2A (0.38) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7054835 0.85 CES1 (0.47) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7055896 0.83 KMT2A (0.50) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7053388 0.81 CES1 (0.44) ALDH1A1CCNB2CDK1CCNB1CCNB3
SCHEMBL7054714 0.80 KMT2A (0.38) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7054176 0.79 KMT2A (0.38) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7054751 0.79 KMT2A (0.38) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7053797 0.78 KMT2A (0.36) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7048280 0.77 MAPT (0.38) KMT2AHPGDALDH1A1F2ATM

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