SCHEMBL7052368

SCHEMBL7052368

O=C1Nc2ccc(Br)c(C(F)(F)F)c2C(=O)C1=NO

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
AGTR1 P30556 2/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
LRRK2 Q5S007 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CES1 P23141 2/20 0.30
TGM2 P21980 1/20 0.30
GALR3 O60755 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7052365 1.00 ALDH1A1 (0.32) ALDH1A1MAPTHTTAGTR1IDO1
SCHEMBL7048295 0.89 CES1 (0.33) CES1TGM2
SCHEMBL7048297 0.89 CES1 (0.33) CES1TGM2
SCHEMBL7052247 0.84 LRRK2 (0.32) LRRK2CES1GALR3
SCHEMBL7052248 0.84 LRRK2 (0.32) LRRK2CES1GALR3
SCHEMBL7054756 0.83 CES1 (0.46) CES1TGM2GALR3
SCHEMBL7054760 0.83 CES1 (0.46) CES1TGM2GALR3
SCHEMBL7054978 0.81 AGTR1 (0.32) ALDH1A1MAPTHTTAGTR1TGM2
SCHEMBL7048371 0.78 KMT2A (0.36) ALDH1A1MAPTHTTLRRK2CA1
SCHEMBL7052801 0.75 GALR3 (0.35) GALR3

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