SCHEMBL27786209

SCHEMBL27786209

NC(CCCC(N)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 8/20 0.52
GRM4 Q14833 8/20 0.52
KMO O15229 1/20 0.50
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CASR P41180 1/20 0.47
GRM6 O15303 5/20 0.43

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
SCHEMBL353510 1.00 GRM8 (0.52) GRM8GRM4KMOCYP3A4SMN1; SMN2
Dinitrophenylene SCHEMBL28977791 0.74 KMO (0.58) GRM8GRM4KMOGRM6
SCHEMBL7511838 0.73 GRM8 (0.51) GRM8GRM4KMOCASRGRM6
SCHEMBL7511836 0.73 GRM8 (0.51) GRM8GRM4KMOCASRGRM6
SCHEMBL9755844 0.73 POLB (0.51)
SCHEMBL10591572 0.73 POLB (0.51)
Trinitrophenol SCHEMBL3985940 0.72 GRM8 (0.57) GRM8GRM4GRM6
Trinitrophenol SCHEMBL3985938 0.72 GRM8 (0.57) GRM8GRM4GRM6
SCHEMBL3124322 0.72 GRM8 (0.53) GRM8GRM4GRM6
SCHEMBL11591209 0.71 GRM8 (0.50) GRM8GRM4KMOGRM6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102395599-A Modification of cupredoxin derived peptides and methods of use thereof CDG THERAPEUTICS INC 2012-03-28 CN claimed
CN-101600447-A The trim of cupredoxin derived peptides class and using method thereof UNIV ILLINOIS (US) 2009-12-09 CN claimed
CN-102395599-A Modification of cupredoxin derived peptides and methods of use thereof CDG THERAPEUTICS INC 2012-03-28 CN disclosed
CN-101600447-A The trim of cupredoxin derived peptides class and using method thereof UNIV ILLINOIS (US) 2009-12-09 CN disclosed
CN-101595124-A Use the composition and the method for cupredoxin preventing cancer UNIV ILLINOIS (US) 2009-12-02 CN disclosed