SCHEMBL7051808

SCHEMBL7051808

O=C1Nc2ccc(Cl)c(C(F)(F)F)c2C(=O)C1=NOC(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
F2 P00734 2/20 0.36
ATM Q13315 1/20 0.36
TGM2 P21980 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL7055733 0.92 CES1 (0.39) CES1KMT2AHPGDALDH1A1F2
SCHEMBL7055743 0.88 KMT2A (0.37) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7048371 0.87 KMT2A (0.36) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7054468 0.84 CES1 (0.40) CES1TGM2
SCHEMBL7054322 0.82 HPGD (0.37) CES1KMT2AHPGDALDH1A1F2
SCHEMBL7048375 0.80 KMT2A (0.37) CES1KMT2AHPGDALDH1A1F2
SCHEMBL7051548 0.79 CES1 (0.48) CES1KMT2AHPGDALDH1A1F2
SCHEMBL7048380 0.79 KMT2A (0.36) CES1KMT2AHPGDALDH1A1F2
SCHEMBL7050457 0.78 KMT2A (0.38) CES1KMT2AHPGDALDH1A1F2
SCHEMBL7051654 0.78 KMT2A (0.39) CES1KMT2AHPGDALDH1A1F2

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