SCHEMBL9054998

SCHEMBL9054998

O=c1cnc2c(Cl)cc(Cl)cc2[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 9/20 0.52
GRIN3B O60391 9/20 0.52
GRIN1 Q05586 9/20 0.52
GRIN2A Q12879 9/20 0.52
GRIN2B Q13224 9/20 0.52
GRIN2C Q14957 9/20 0.52
GRIN3A Q8TCU5 9/20 0.52
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.46
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 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
SCHEMBL9037873 0.82 HTT (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873295 0.79 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8874223 0.72 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8874377 0.71 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872581 0.70 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15698922 0.69 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872628 0.69 KDM4E (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9703593 0.69 GRIN1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872432 0.68 PARP1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873819 0.68 HTT (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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