SCHEMBL8873082

SCHEMBL8873082

O=c1[nH]c2cc(F)cc(F)c2nc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ GRIN2D O15399 5/20 0.39
▸ GRIN3B O60391 5/20 0.39
▸ GRIN1 Q05586 5/20 0.39
▸ GRIN2A Q12879 5/20 0.39
▸ GRIN2B Q13224 5/20 0.39
▸ GRIN2C Q14957 5/20 0.39
▸ GRIN3A Q8TCU5 5/20 0.39
▸ GRIA1 P42261 2/20 0.39
▸ GRIA2 P42262 2/20 0.39
▸ GRIA3 P42263 2/20 0.39
▸ GRIA4 P48058 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GRIK1 P39086 1/20 0.39
▸ BLM P54132 1/20 0.39

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
SCHEMBL8872888 0.79 GRIN2D (0.46) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8872891 0.73 GRIN2D (0.50) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873819 0.73 HTT (0.53) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8872787 0.73 GRIN2D (0.50) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8872788 0.72 KDM4E (0.53) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873139 0.71 CACNA1H (0.50) EGLN1
SCHEMBL8872126 0.71 GRIN2D (0.58) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873245 0.71 GRIN2D (0.58) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873534 0.71 KCNH2 (0.46) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8265513 0.70 HTT (0.47) KMT2AMAPTHPGDEGLN1KDM4E

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-5597922-A Glycine receptor antagonist pharmacophore 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 (US) 1997-01-28 — — US claimed
US-5597922-A Glycine receptor antagonist pharmacophore 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 (US) 1997-01-28 — — US disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE 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) 1996-02-15 — — WO disclosed
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