SCHEMBL8903208

SCHEMBL8903208

Nc1ccc(C(F)(F)F)cc1N.O=c1[nH]c2cc(C(F)(F)F)cc([N+](=O)[O-])c2[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GRIN2D O15399 4/20 0.48
GRIN3B O60391 4/20 0.48
GRIN1 Q05586 4/20 0.48
GRIN2A Q12879 4/20 0.48
GRIN2B Q13224 4/20 0.48
GRIN2C Q14957 4/20 0.48
GRIN3A Q8TCU5 4/20 0.48
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
KIF11 P52732 1/20 0.43
HPGD P15428 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40

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
SCHEMBL7779892 0.87 GRIN2D (0.60) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2422496 0.76 CYP3A4 (0.51) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8609931 0.76 GRIN1 (0.45) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30515345 0.74 ALDH1A1 (0.64) ALDH1A1MAPTLMNAHPGDCYP3A4
SCHEMBL204956 0.74 ALDH1A1 (0.64) ALDH1A1MAPTLMNAHPGDCYP3A4
SCHEMBL331522 0.71 ALDH1A1 (0.64) ALDH1A1MAPTLMNAHPGDCYP3A4
SCHEMBL4706926 0.70 GRIN2D (0.68) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7779680 0.69 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2415016 0.68 ALDH1A1 (1.00) ALDH1A1MAPTLMNAHPGDCYP3A4
SCHEMBL161784 0.67 ALDH1A1 (0.55) ALDH1A1MAPTLMNAKIF11HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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