SCHEMBL9815425

SCHEMBL9815425

CC(=O)Nc1ccc([N+](=O)[O-])c(COC(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
KMT2A Q03164 4/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 7/20 0.48
ALDH1A1 P00352 3/20 0.48
AR P10275 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL9815415 0.87 HTT (0.51) HTTKMT2APOLBMEN1LMNA
SCHEMBL12983948 0.84 HTT (0.60) HTTKMT2APOLBMEN1LMNA
SCHEMBL27524897 0.82 HTT (0.57) HTTKMT2APOLBMEN1LMNA
SCHEMBL17208836 0.81 BACE1 (0.47) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL18498886 0.79 MAOB (0.40) KMT2APOLBMEN1LMNASMN1; SMN2
SCHEMBL2033657 0.78 HTT (0.53) HTTKMT2APOLBMEN1LMNA
SCHEMBL7086433 0.78 VCAM1 (0.51) HTTKMT2APOLBMEN1MAPT
SCHEMBL27548058 0.78 CASP6 (0.55) POLBLMNA
SCHEMBL12089122 0.78 SMN1; SMN2 (0.50) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL11526803 0.78 HTT (0.71) HTTKMT2APOLBMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297607-B1 GAMMA-L-GLUTAMYL-4-NITROANILIDE DERIVATIVES AND PROCESS FOR DETERMINING GAMMA-GTP ACTIVITY USING THE SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-28 EP disclosed
US-4851572-A DIAGNOSIS OF LIVER AND BILE DUCT DISORDERS, ALCOHOLISM WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0297607-A1 Gamma-L-glutamyl-4-nitroanilide derivatives and process for determining gamma-GTP activity using the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-01-04 EP disclosed