SCHEMBL6581017

SCHEMBL6581017

C=CCCCCNc1ccc(C(=O)OC)c(N(CC)C(=O)COC)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
EGFR P00533 4/20 0.32
KMT2A Q03164 1/20 0.32
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NOX4 Q9NPH5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RAB9A P51151 1/20 0.30
BCL2L1 Q07817 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL6579689 0.93 ALDH1A1 (0.36) TDP1EGFRABCB11CYP3A4ADRA2B
SCHEMBL6581870 0.84 LMNA (0.33) TDP1EGFRKMT2AABCB11CYP3A4
SCHEMBL6579279 0.83 LMNA (0.35) TDP1EGFRKMT2AABCB11CYP3A4
SCHEMBL6577376 0.78 LMNA (0.33) TDP1EGFRKMT2AABCB11CYP3A4
SCHEMBL6581222 0.77 LMNA (0.36) TDP1EGFRKMT2AABCB11CYP3A4
SCHEMBL7985121 0.76 CNR1 (0.36) TDP1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL6581152 0.76 PLK1 (0.39) TDP1EGFRABCB11CYP3A4ADRA2B
SCHEMBL6579059 0.76 PLK1 (0.39) TDP1EGFRABCB11CYP3A4ADRA2B
SCHEMBL6581167 0.76 LMNA (0.35) TDP1ABCB11CYP3A4ADRA2BOPRD1
SCHEMBL6579599 0.76 EGFR (0.31) TDP1EGFRKMT2AKDM4EALDH1A1

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