SCHEMBL6578987

SCHEMBL6578987

CCCCCCCCCCOCC(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 8/20 0.58
MAPT P10636 4/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 3/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.47
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46

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
SCHEMBL6581064 1.00 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL6576971 0.84 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL6582117 0.83 KDM4E (0.52) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E
SCHEMBL6586156 0.81 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL6577010 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL6583371 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL6582068 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL7734024 0.79 CACNA1F (0.58) SMN1; SMN2ALDH1A1MAPTTP53KDM4E
SCHEMBL7733827 0.79 CACNA1F (0.58) SMN1; SMN2ALDH1A1MAPTTP53KDM4E
SCHEMBL7997377 0.79 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed