SCHEMBL8873451

SCHEMBL8873451

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 1/20 0.30

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
SCHEMBL8872381 0.94 KDM4E (0.34) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL8873162 0.81 GRIN2D (0.35) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL8874193 0.80 TSHR (0.41) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL8873329 0.80 KDM4E (0.33) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL8873967 0.79 POLB (0.31) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL8873048 0.75 GRIN2D (0.38) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL8873670 0.72 TSHR (0.46) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL8874001 0.72 KDM4E (0.34) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL8872795 0.71 GRIN2D (0.34) KCNH2
SCHEMBL8874064 0.69 FLT3 (0.31) KCNH2

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
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