SCHEMBL6579764

SCHEMBL6579764

C=CCOCC(=O)N(C)c1cc([N+](=O)[O-])ccc1C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 7/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
AR P10275 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6581150 0.90 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TDP1MAPTMEN1
SCHEMBL6579676 0.87 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1MAPTMEN1
SCHEMBL6576908 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TDP1MAPTMEN1
SCHEMBL6582119 0.86 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TDP1MAPTMEN1
SCHEMBL6581956 0.85 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1TDP1MAPTMEN1
SCHEMBL6578940 0.84 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TDP1MAPTMEN1
SCHEMBL7975956 0.83 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TDP1MAPTGAA
SCHEMBL7975957 0.83 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TDP1MAPTGAA
SCHEMBL6581810 0.83 LMNA (0.39) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL6583371 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1MAPTMEN1

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