SCHEMBL7053797

SCHEMBL7053797

O=C1Nc2cc(C(F)(F)F)cc(Br)c2C(=NOC(=O)c2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
F2 P00734 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 4/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PDK2 Q15119 1/20 0.33
P2RX1 P51575 1/20 0.33
GALR3 O60755 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7051756 0.93 KMT2A (0.35) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7050411 0.88 KMT2A (0.37) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7054180 0.87 HPGD (0.37) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7049367 0.83 NOTUM (0.32) HPGDALDH1A1MAPTCCNB2CDK1
SCHEMBL7048288 0.83 KMT2A (0.36) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7048380 0.83 KMT2A (0.36) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7054322 0.82 HPGD (0.37) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7050444 0.80 KMT2A (0.38) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7050424 0.79 MAPT (0.36) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7052947 0.78 KMT2A (0.43) 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