SCHEMBL8902020

SCHEMBL8902020

O=C(Nc1ccc(Br)c(Br)c1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.39
▸ PDK1 Q15118 3/20 0.38
▸ PDK2 Q15119 3/20 0.38
▸ PDK3 Q15120 3/20 0.38
▸ PDK4 Q16654 3/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL16738929 0.87 AR (0.38) ARPDK1PDK2PDK3PDK4
SCHEMBL26618577 0.86 KMT2A (0.45) ARPDK1PDK2PDK3PDK4
SCHEMBL23000318 0.74 ALDH1A1 (0.37) ARPDK1PDK2PDK3PDK4
SCHEMBL30116511 0.74 ALDH1A1 (0.37) ARPDK1PDK2PDK3PDK4
SCHEMBL16739042 0.74 HSPB1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL12350643 0.73 MAPK1 (0.53) ARPDK1PDK2PDK3PDK4
SCHEMBL5656398 0.73 CYP19A1 (0.43) MEN1KMT2AMAPTTDP1THRB
SCHEMBL8213364 0.72 AR (0.43) ARPDK1PDK2PDK3PDK4
SCHEMBL18784583 0.71 PDK1 (0.57) PDK1PDK2PDK3PDK4MEN1
SCHEMBL8213070 0.70 CYP1A2 (0.49) ARPDK1PDK2PDK3PDK4

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
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