SCHEMBL6579337

SCHEMBL6579337

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.35
MAPT P10636 6/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CACNA1F O60840 5/20 0.35
CACNA1D Q01668 5/20 0.35
CACNA1S Q13698 5/20 0.35
CACNA1C Q13936 5/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
GLO1 Q04760 1/20 0.34
GAA P10253 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL6579864 0.88 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL6581100 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL6579010 0.86 MAOA (0.33) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL6582332 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL6579676 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTCRHBPCRHR2
SCHEMBL6582316 0.82 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL6579063 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL6579338 0.82 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL6579348 0.82 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL6577077 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTMEN1TP53

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