SCHEMBL8871908

SCHEMBL8871908

O=[N+]([O-])c1c(Br)c(Br)cc2nc(O)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 3/20 0.37
▸ GRIN3B O60391 3/20 0.37
▸ GRIN1 Q05586 3/20 0.37
▸ GRIN2A Q12879 3/20 0.37
▸ GRIN2B Q13224 3/20 0.37
▸ GRIN2C Q14957 3/20 0.37
▸ GRIN3A Q8TCU5 3/20 0.37
▸ KCNH2 Q12809 8/20 0.35
▸ FLT3 P36888 2/20 0.34
▸ TYMS P04818 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ NQO2 P16083 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ GPR35 Q9HC97 2/20 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
SCHEMBL8872848 0.76 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872719 0.76 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8871896 0.76 KCNH2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8875780 0.76 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872827 0.71 GAA (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872216 0.70 NQO2 (0.33) KCNH2FLT3PIM1PIM3PIM2
SCHEMBL8873618 0.70 GPR35 (0.34) KCNH2FLT3TYMSPIM1PIM3
SCHEMBL8896664 0.69 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872813 0.68 GAA (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2638791 0.67 GRIN2D (0.72) 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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