SCHEMBL6577091

SCHEMBL6577091

C/C=C\n1c(=O)c(OC)c(O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
TOP1 P11387 2/20 0.38
S100A4 P26447 1/20 0.38
ERN1 O75460 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
ELANE P08246 3/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
CTRB1 P17538 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PTGS2 P35354 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6577098 1.00 MAPT (0.38) MAPTTOP1S100A4ERN1CTSV
SCHEMBL6579512 0.91 TOP1 (0.40) MAPTTOP1S100A4ERN1CTSV
SCHEMBL6579521 0.91 TOP1 (0.40) MAPTTOP1S100A4ERN1CTSV
SCHEMBL6582135 0.76 CNR1 (0.39) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL6582132 0.76 CNR1 (0.39) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL7988582 0.74 ALDH1A1 (0.45) MAPTTOP1S100A4ALDH1A1HTT
SCHEMBL6578992 0.73 MAPT (0.49) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL6579909 0.71 CYP1A2 (0.51) MAPTHTTMEN1KMT2ALMNA
SCHEMBL6582308 0.70 MAPT (0.47) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL7988381 0.69 HTT (0.42) MAPTTOP1S100A4ALDH1A1HTT

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 1 patent. 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