SCHEMBL9815415

SCHEMBL9815415

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
AR P10275 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 2/20 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
SCHEMBL9815425 0.87 HTT (0.53) HTTMAPTALDH1A1KMT2AMEN1
SCHEMBL12983948 0.82 HTT (0.60) HTTMAPTALDH1A1KMT2AMEN1
SCHEMBL2033657 0.82 HTT (0.53) HTTMAPTALDH1A1KMT2AMEN1
SCHEMBL27860292 0.81 SMN1; SMN2 (0.48) HTTMAPTALDH1A1KMT2AMEN1
SCHEMBL27661302 0.80 ALDH1A1 (0.40) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27489082 0.80 KMT2A (0.46) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL27524897 0.80 HTT (0.57) HTTMAPTALDH1A1KMT2AMEN1
SCHEMBL7421292 0.78 MAOB (0.52) HTTMAPTALDH1A1KMT2AMEN1
SCHEMBL30435606 0.77 HPD (0.45) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7867525 0.76 SMN1; SMN2 (0.49) HTTMAPTALDH1A1KMT2AMEN1

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