SCHEMBL8873162

SCHEMBL8873162

CC(=O)C1=C(C(N)=O)Nc2cc(C)c(C)c([N+](=O)[O-])c2N1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8873048 0.95 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873329 0.81 KDM4E (0.33) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL8874193 0.81 TSHR (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873451 0.81 KDM4E (0.33) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL8872709 0.80 HPRT1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872569 0.74 ALDH1A1 (0.35) MEN1KMT2AKDM4E
SCHEMBL8873670 0.73 TSHR (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8874001 0.73 KDM4E (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872381 0.73 KDM4E (0.34) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL8873357 0.72 GRIN2D (0.45) 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