SCHEMBL8871845

SCHEMBL8871845

O=c1[nH]c2ccccc2[nH]c1=NO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.58
GRIN2D O15399 4/20 0.58
GRIN3B O60391 4/20 0.58
GRIN1 Q05586 4/20 0.58
GRIN2A Q12879 4/20 0.58
GRIN2B Q13224 4/20 0.58
GRIN2C Q14957 4/20 0.58
GRIN3A Q8TCU5 4/20 0.58
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
IDE P14735 1/20 0.44
MPI P34949 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
PARP1 P09874 2/20 0.43
MEN1 O00255 1/20 0.43
TNKS O95271 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
GPR3 P46089 1/20 0.43

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
SCHEMBL8871843 1.00 KDM4E (0.58) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9055488 0.84 KDM4E (0.57) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8872669 0.84 KDM4E (0.57) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19786453 0.78 KDM4E (0.58) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL239920 0.75 KDM4E (1.00) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29495630 0.75 KDM4E (1.00) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8872356 0.75 GRIN2D (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8872350 0.75 GRIN2D (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
Bicarbonate SCHEMBL7779718 0.72 KDM4E (0.79) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873559 0.71 KDM4E (0.78) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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