SCHEMBL6579571

SCHEMBL6579571

C=CCN(C(=O)COCC)c1cc(NC(C)=O)ccc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CDK1 P06493 1/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.38
HPGD P15428 5/20 0.36
RORC P51449 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
RAB9A P51151 2/20 0.35
MMP13 P45452 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL6579937 0.84 GAA (0.43) TDP1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6579068 0.83 HPGD (0.38) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6580873 0.82 TDP1 (0.56) TDP1SMN1; SMN2KMT2AMEN1CDK1
SCHEMBL6581460 0.80 ALDH1A1 (0.44) TDP1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL6579853 0.76 TDP1 (0.38) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6579689 0.76 ALDH1A1 (0.36) TDP1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6578819 0.74 TDP1 (0.41) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6579680 0.73 HPGD (0.39) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6579930 0.73 TDP1 (0.41) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6581729 0.72 TDP1 (0.55) TDP1SMN1; SMN2KMT2AMEN1CDK1

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