SCHEMBL8064895

SCHEMBL8064895

NC(CSC(c1ccccc1)c1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 5/20 0.49
GRM4 Q14833 5/20 0.49
GRM6 O15303 4/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MMP2 P08253 1/20 0.45
KMO O15229 1/20 0.44
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7317301 0.85 KIF11 (0.50)
SCHEMBL1913648 0.85 KIF11 (0.50)
SCHEMBL8075228 0.78 KIF11 (0.58)
SCHEMBL8074690 0.77 KIF11 (0.63)
SCHEMBL6053554 0.76 GRIK1 (0.48) GRM8GRM4GRM6KMT2AMEN1
SCHEMBL6053553 0.76 GRIK1 (0.48) GRM8GRM4GRM6KMT2AMEN1
SCHEMBL7608097 0.75 KDM4E (0.51) MAPTNPSR1
SCHEMBL7607397 0.75 KDM4E (0.51) MAPTNPSR1
SCHEMBL8072634 0.75 KIF11 (0.44)
SCHEMBL5695662 0.73 ACE (0.55) GRM8GRM4GRM6KMT2AMEN1

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-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed