SCHEMBL6581292

SCHEMBL6581292

CCOC(=O)c1ccc(NCc2ccccc2)cc1N(Cc1ccccc1)C(=O)COCc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 3/20 0.41
TP53 P04637 3/20 0.41
BLM P54132 2/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HIF1A Q16665 1/20 0.39
CA1 P00915 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
SCHEMBL6578934 0.96 RAB9A (0.43) EGFRMAPTALDH1A1NPSR1HPGD
SCHEMBL6581865 0.86 ALDH1A1 (0.44) MAPTALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL6579278 0.83 SMN1; SMN2 (0.46) MAPTALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL6579645 0.78 AR (0.48) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6581444 0.75 EGFR (0.39) EGFRMAPTALDH1A1NPSR1HPGD
SCHEMBL6579509 0.75 ALDH1A1 (0.44) MAPTALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL6577225 0.74 SENP1 (0.48) EGFRMAPTALDH1A1NPSR1HPGD
SCHEMBL6579875 0.74 KMT2A (0.41) EGFRMAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL1403640 0.73 RAB9A (0.54) EGFRMAPTALDH1A1NPSR1HPGD
SCHEMBL27474983 0.73 PDK1 (0.39) ALDH1A1RAB9AL3MBTL1KDM4ENPC1

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