SCHEMBL8902847

SCHEMBL8902847

Nc1c([N+](=O)[O-])cc(F)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
ATM Q13315 1/20 0.39
PDE7A Q13946 2/20 0.39
KIF11 P52732 1/20 0.38
TYMS P04818 1/20 0.37
LMNA P02545 2/20 0.37
CTSB P07858 1/20 0.37
P2RY6 Q15077 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
EPAS1 Q99814 1/20 0.36
AR P10275 2/20 0.35

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
SCHEMBL12583947 0.84 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL7784325 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL2313846 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL4914101 0.82 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL9173191 0.82 ALDH1A1 (0.72) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL30152587 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL1505922 0.82 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL21906385 0.81 KIF11 (0.47) ALDH1A1TDP1ATMPDE7AKIF11
SCHEMBL29190066 0.81 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL203703 0.81 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1ALOX15TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE 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) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY 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) 1997-04-15 US disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE 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 (US) 1996-05-07 US disclosed