SCHEMBL8875768

SCHEMBL8875768

O=[N+]([O-])c1c(F)c(F)cc2[nH]c(O)nc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 8/20 0.38
▸ GRIN3B O60391 8/20 0.38
▸ GRIN1 Q05586 8/20 0.38
▸ GRIN2A Q12879 8/20 0.38
▸ GRIN2B Q13224 8/20 0.38
▸ GRIN2C Q14957 8/20 0.38
▸ GRIN3A Q8TCU5 8/20 0.38
▸ DCTPP1 Q9H773 1/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ GFER P55789 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ ALPI P09923 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32

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) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872838 0.76 MEN1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8871896 0.76 KCNH2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8875780 0.76 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872713 0.76 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872619 0.73 NPC1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872922 0.72 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872962 0.70 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873346 0.69 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8897845 0.69 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 2 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 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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