SCHEMBL6579512

SCHEMBL6579512

C/C=C\n1c(=O)c(OC)c(O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.40
HTT P42858 3/20 0.38
ALDH1A1 P00352 4/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
S100A4 P26447 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ERN1 O75460 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
KRAS P01116 1/20 0.34
GLA P06280 1/20 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
SCHEMBL6579521 1.00 TOP1 (0.40) TOP1HTTALDH1A1PTGS2LMNA
SCHEMBL6577098 0.91 MAPT (0.38) TOP1HTTALDH1A1PTGS2LMNA
SCHEMBL6577091 0.91 MAPT (0.38) TOP1HTTALDH1A1PTGS2LMNA
SCHEMBL6582135 0.85 CNR1 (0.39) HTTALDH1A1LMNACYP1A2MAPT
SCHEMBL6582132 0.85 CNR1 (0.39) HTTALDH1A1LMNACYP1A2MAPT
SCHEMBL7988582 0.82 ALDH1A1 (0.45) TOP1HTTALDH1A1LMNACYP1A2
SCHEMBL6579909 0.79 CYP1A2 (0.51) HTTLMNACYP1A2MAPTTDP1
SCHEMBL6582308 0.77 MAPT (0.47) HTTALDH1A1LMNACYP1A2MAPT
SCHEMBL8004065 0.75 KDM4E (0.44) ALDH1A1LMNACYP1A2MAPTTDP1
SCHEMBL7988381 0.74 HTT (0.42) TOP1HTTALDH1A1LMNACYP1A2

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