SCHEMBL7054737

SCHEMBL7054737

O=C1Nc2cc(C(F)(F)F)c([N+](=O)[O-])c(C(F)(F)F)c2C(=NOC(=O)c2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.36
MDM2 Q00987 1/20 0.35
ALDH1A1 P00352 7/20 0.34
HTT P42858 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 3/20 0.32
HPGD P15428 2/20 0.32
F2 P00734 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
ADORA3 P0DMS8 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL7053186 0.93 MAPT (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7050424 0.89 MAPT (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7050448 0.89 MAPT (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7053694 0.88 KIF11 (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7054194 0.85
SCHEMBL7052760 0.83 MAPT (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7050946 0.83 MAPT (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7051820 0.83 KIF11 (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7050673 0.81 MAPT (0.38) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7048222 0.81 MAPT (0.38) MAPTMDM2ALDH1A1HTTSMN1; SMN2

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