SCHEMBL6580962

SCHEMBL6580962

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
CACNA1C Q13936 2/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6583833 0.92 KMT2A (0.41) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6578922 0.88 SMN1; SMN2 (0.53) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6582332 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6581460 0.85 ALDH1A1 (0.44) SMN1; SMN2MAPTKMT2AALDH1A1TP53
SCHEMBL6576729 0.85 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6579586 0.82 SMN1; SMN2 (0.48) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6581956 0.82 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6576908 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6577291 0.80 SMN1; SMN2 (0.46) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6579063 0.79 SMN1; SMN2 (0.44) SMN1; SMN2MAPTMEN1KMT2AALDH1A1

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