SCHEMBL8903304

SCHEMBL8903304

O=C(Nc1ccc(Br)c(Br)c1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
NPY5R Q15761 3/20 0.47
MAPT P10636 4/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL14720938 0.86 CA12 (0.54) CYP1A2CYP2C9CYP2C19L3MBTL1CA12
SCHEMBL6556596 0.86 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1CA12
SCHEMBL29535627 0.86 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1CA12
SCHEMBL6557195 0.86 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1CA12
SCHEMBL6555417 0.84 HDAC1 (0.56) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL8527587 0.84 MAPT (0.64) CYP1A2CYP2C9CYP2C19L3MBTL1CA12
SCHEMBL30254252 0.84 HDAC1 (0.56) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL7897266 0.82 L3MBTL1 (0.54) CYP1A2CYP2C9CYP2C19L3MBTL1CA12
SCHEMBL5804037 0.82 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19L3MBTL1CA12
SCHEMBL7871733 0.80 CYP1A2 (0.75) CYP1A2CYP2C9CYP2C19L3MBTL1CA12

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