SCHEMBL6579853

SCHEMBL6579853

C=CCCN(C(=O)COCCC)c1cc(NC(C)=O)ccc1C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
MMP13 P45452 1/20 0.38
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 3/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 1/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33
XBP1 P17861 1/20 0.33
CCR6 P51684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6579680 0.89 HPGD (0.39) TDP1MMP13KMT2ASMN1; SMN2HPGD
SCHEMBL6579643 0.84 CYP1A2 (0.41) TDP1KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL6579930 0.84 TDP1 (0.41) TDP1MMP13KMT2ASMN1; SMN2HPGD
SCHEMBL6579068 0.83 HPGD (0.38) TDP1MMP13KMT2ASMN1; SMN2HPGD
SCHEMBL6576914 0.82 TDP1 (0.44) TDP1MMP13KMT2ASMN1; SMN2HPGD
SCHEMBL6581222 0.82 LMNA (0.36) TDP1KMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL6581870 0.81 LMNA (0.33) TDP1KMT2AHPGDMAPK1ALDH1A1
SCHEMBL6579063 0.81 SMN1; SMN2 (0.44) TDP1KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL6577324 0.81 KMT2A (0.39) TDP1MMP13KMT2ASMN1; SMN2HPGD
SCHEMBL6579046 0.79 LMNA (0.35) TDP1SMN1; SMN2HPGDMAPK1HSD17B10

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