SCHEMBL6579063

SCHEMBL6579063

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 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
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6582316 0.91 SMN1; SMN2 (0.45) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6579864 0.89 SMN1; SMN2 (0.42) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6581100 0.89 SMN1; SMN2 (0.42) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6576945 0.87 SMN1; SMN2 (0.50) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6576908 0.87 SMN1; SMN2 (0.46) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6579643 0.84 CYP1A2 (0.41) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6581150 0.83 SMN1; SMN2 (0.49) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6582332 0.83 SMN1; SMN2 (0.43) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6576899 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6577428 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TDP1MAPTALDH1A1MEN1

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