SCHEMBL6579151

SCHEMBL6579151

CCCCCCCCCCN(C(=O)COCCCC)c1ccc([N+](=O)[O-])cc1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CACNA1F O60840 5/20 0.42
CACNA1D Q01668 5/20 0.42
CACNA1S Q13698 5/20 0.42
CACNA1C Q13936 5/20 0.42
CYP19A1 P11511 2/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.38
MGLL Q99685 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
SCHEMBL6578796 0.95 SMN1; SMN2 (0.41) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6576899 0.92 SMN1; SMN2 (0.46) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6578894 0.90 SMN1; SMN2 (0.45) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6579241 0.88 SMN1; SMN2 (0.44) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6579094 0.86 SMN1; SMN2 (0.46) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6577428 0.86 SMN1; SMN2 (0.46) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6578971 0.84 POLB (0.40) SMN1; SMN2CYP19A1ALDH1A1TDP1HTT
SCHEMBL6581100 0.83 SMN1; SMN2 (0.42) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6579171 0.83 SMN1; SMN2 (0.48) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6582192 0.81 SMN1; SMN2 (0.42) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C

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