SCHEMBL7054941

SCHEMBL7054941

O=C1Nc2cc(C(F)(F)F)c(F)cc2C(=O)C1=NOC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
F2 P00734 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
PLA2G7 Q13093 2/20 0.35
LRRK2 Q5S007 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 2/20 0.33
HSP90AA1 P07900 2/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
HCRTR1 O43613 1/20 0.33
CES1 P23141 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 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
SCHEMBL7054714 0.92 KMT2A (0.38) KMT2AALDH1A1HPGDF2ATM
SCHEMBL7054751 0.88 KMT2A (0.38) KMT2AALDH1A1HPGDF2ATM
SCHEMBL7050457 0.88 KMT2A (0.38) KMT2AALDH1A1HPGDF2ATM
SCHEMBL7052536 0.83 TGM2 (0.33) CES1
SCHEMBL7054176 0.80 KMT2A (0.38) KMT2AALDH1A1HPGDF2ATM
SCHEMBL7050444 0.80 KMT2A (0.38) KMT2AALDH1A1HPGDF2ATM
SCHEMBL7049532 0.80 KMT2A (0.43) KMT2AALDH1A1HPGDF2ATM
SCHEMBL7051552 0.80 CES1 (0.47) KMT2AALDH1A1HPGDF2ATM
SCHEMBL7048288 0.79 KMT2A (0.36) KMT2AALDH1A1HPGDF2ATM
SCHEMBL7052957 0.78 KMT2A (0.50) KMT2AALDH1A1HPGDF2ATM

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