SCHEMBL8875110

SCHEMBL8875110

O=c1[nH]c2cc(Cl)ccc2cc(O)c1=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.81
DDO Q99489 3/20 0.56
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52
F11 P03951 1/20 0.47
ALOX15 P16050 3/20 0.46
PARP1 P09874 1/20 0.46
EEF2K O00418 1/20 0.44
PLK4 O00444 1/20 0.44
IKBKB O14920 1/20 0.44
DYRK3 O43781 1/20 0.44
PIM1 P11309 1/20 0.44
CDK2 P24941 1/20 0.44
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44

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
SCHEMBL16767847 0.89 DAO (1.00) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL8873290 0.81 DAO (0.83) DAODDO
SCHEMBL8872800 0.79 DAO (0.81) DAODDO
SCHEMBL11059607 0.78 DAO (0.58) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL8873240 0.77 DAO (0.79) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL8924872 0.76 DAO (0.65) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL1369644 0.76 DAO (0.65) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8874043 0.76 DAO (0.55) DAODDOCDK5
SCHEMBL2463866 0.75 DAO (0.64) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16767857 0.75 DAO (1.00) DAODDOGRIN2DGRIN3BGRIN1

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