SCHEMBL6579676

SCHEMBL6579676

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 4/20 0.40
MAPT P10636 5/20 0.38
GAA P10253 1/20 0.38
CACNA1F O60840 5/20 0.38
CACNA1D Q01668 5/20 0.38
CACNA1S Q13698 5/20 0.38
CACNA1C Q13936 5/20 0.38
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
AR P10275 1/20 0.36

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 0.93 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTGAATDP1
SCHEMBL6583371 0.88 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL6577010 0.88 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL6582068 0.88 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL6578940 0.88 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL6579864 0.87 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL6579764 0.87 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTGAATDP1
SCHEMBL6582119 0.86 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTGAATDP1
SCHEMBL6579337 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTGAACACNA1F
SCHEMBL6581100 0.85 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTCACNA1FCACNA1D

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