SCHEMBL7052285

SCHEMBL7052285

O=C1Nc2cc(Cl)c(Cl)cc2C(=O)/C1=N/O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 10/20 0.65
TGM2 P21980 3/20 0.40
BCHE P06276 1/20 0.34
GALR3 O60755 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
LRRK2 Q5S007 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
KMT2A Q03164 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
IDO1 P14902 1/20 0.33
KDR P35968 1/20 0.33
DNMT1 P26358 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
SCHEMBL7052288 1.00 CES1 (0.65) CES1TGM2BCHEGALR3MAOA
SCHEMBL6316990 0.89 CES1 (0.58) CES1TGM2GALR3LRRK2CA1
SCHEMBL7049846 0.86 CES1 (0.65) CES1TGM2BCHEMAOAMAOB
SCHEMBL7049842 0.86 CES1 (0.65) CES1TGM2BCHEMAOAMAOB
SCHEMBL7049797 0.84 CES1 (0.45) CES1TGM2GALR3KDRDNMT1
SCHEMBL7049799 0.84 CES1 (0.45) CES1TGM2GALR3KDRDNMT1
SCHEMBL7049827 0.80 CES1 (0.67) CES1TGM2GALR3LRRK2CA1
SCHEMBL7049823 0.80 CES1 (0.67) CES1TGM2GALR3LRRK2CA1
SCHEMBL7050072 0.79 CES1 (0.49) CES1TGM2BCHELRRK2CA1
SCHEMBL7050076 0.79 CES1 (0.49) CES1TGM2BCHELRRK2CA1

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