SCHEMBL6053554

SCHEMBL6053554

NC(CSc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.48
GRIK2 Q13002 1/20 0.48
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRM4 Q14833 1/20 0.48
KMO O15229 1/20 0.46
PTPRA P18433 1/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
IDO1 P14902 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
SCHEMBL6053553 1.00 GRIK1 (0.48) GRIK1GRIK2GRM8GRM6GRM4
SCHEMBL10817499 0.84 MAPT (0.44) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL9065283 0.81 CASP6 (0.44) GRM8GRM4KMO
SCHEMBL7079082 0.79 MMP1 (0.47) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL7310938 0.79 ACE (0.55) GRIK1GRIK2GRM8GRM6GRM4
SCHEMBL5695662 0.79 ACE (0.55) GRIK1GRIK2GRM8GRM6GRM4
Cysteine SCHEMBL3614637 0.79 PTGS1 (0.47) GRIK1GRIK2GRM8GRM6GRM4
Cysteine SCHEMBL3614622 0.79 PTGS1 (0.47) GRIK1GRIK2GRM8GRM6GRM4
SCHEMBL8964242 0.79 MAPT (0.61) GRM8GRM4KMOPTPRAMAPT
SCHEMBL8963352 0.79 MAPT (0.61) GRM8GRM4KMOPTPRAMAPT

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-2006029389-A2 TRYPTOPHAN-PROCESSING ENZYMES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2006-03-16 WO disclosed