SCHEMBL6579290

SCHEMBL6579290

COc1c(O)c2cc(NC/C=C(\C)CCC=C(C)C)ccc2n(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.39
PTPN1 P18031 1/20 0.37
GAA P10253 3/20 0.36
MGAM O43451 2/20 0.36
SI P14410 2/20 0.36
SMPD1 P17405 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
TRPV1 Q8NER1 5/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BACE1 P56817 3/20 0.35
ALOX5 P09917 2/20 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
SCHEMBL6579294 1.00 APP (0.39) APPPTPN1GAAMGAMSI
SCHEMBL6582105 0.83 APP (0.45) APPPTPN1GAAMGAMSI
SCHEMBL6582114 0.83 APP (0.45) APPPTPN1GAAMGAMSI
SCHEMBL7998732 0.75 MEN1 (0.36) TRPV1KDM4EALDH1A1
SCHEMBL7998728 0.75 MEN1 (0.36) TRPV1KDM4EALDH1A1
SCHEMBL7998900 0.74 MEN1 (0.35)
SCHEMBL7998905 0.74 MEN1 (0.35)
SCHEMBL8004543 0.74 MEN1 (0.35)
SCHEMBL7998026 0.73 BACE1 (0.34) TRPV1KDM4EALDH1A1BACE1
SCHEMBL8076781 0.73 BACE1 (0.34) TRPV1KDM4EALDH1A1BACE1

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