SCHEMBL6579295

SCHEMBL6579295

CCOCC(=O)N(CC)c1cc([N+](=O)[O-])ccc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 3/20 0.43
TP53 P04637 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 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
SCHEMBL6577291 0.92 SMN1; SMN2 (0.46) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6581460 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6578905 0.87 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6578922 0.84 SMN1; SMN2 (0.53) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6576945 0.83 SMN1; SMN2 (0.50) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6579171 0.81 SMN1; SMN2 (0.48) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6578971 0.81 POLB (0.40) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6577268 0.81 GAA (0.48) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL6576871 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6583833 0.79 KMT2A (0.41) ALDH1A1KMT2AMAPTSMN1; SMN2HTT

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