SCHEMBL7052247

SCHEMBL7052247

O=C1Nc2ccc(F)c(C(F)(F)F)c2C(=O)/C1=N/O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.32
CES1 P23141 2/20 0.31
GALR3 O60755 1/20 0.31
CDK2 P24941 2/20 0.30
CCNE2 O96020 1/20 0.30
CCNE1 P24864 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
SCHEMBL7052248 1.00 LRRK2 (0.32) LRRK2CES1GALR3CDK2CCNE2
SCHEMBL7053459 0.89 CES1 (0.34) CES1CDK2
SCHEMBL7053458 0.89 CES1 (0.34) CES1CDK2
SCHEMBL7054756 0.84 CES1 (0.46) CES1GALR3
SCHEMBL7052368 0.84 ALDH1A1 (0.32) LRRK2CES1GALR3
SCHEMBL7052365 0.84 ALDH1A1 (0.32) LRRK2CES1GALR3
SCHEMBL7054760 0.84 CES1 (0.46) CES1GALR3
SCHEMBL29699969 0.83 CES1 (0.44) CES1CDK2CCNE2CCNE1
SCHEMBL7048274 0.81 GSK3A (0.31) CDK2CCNE2CCNE1
SCHEMBL7055743 0.77 KMT2A (0.37) LRRK2

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