SCHEMBL7975939

SCHEMBL7975939

COc1c(O)c2ccc([N+](=O)[O-])cc2n(-c2ccco2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 5/20 0.36
PKM P14618 1/20 0.35
S100A4 P26447 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
F2 P00734 2/20 0.34
PLAU P00749 1/20 0.34
ELANE P08246 1/20 0.34
CTRB1 P17538 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
TOP1 P11387 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
SCHEMBL7978033 0.81 CFTR (0.47) LMNAHTTALDH1A1PKMMAPT
SCHEMBL7988582 0.78 ALDH1A1 (0.45) LMNAHTTALDH1A1S100A4MAPT
SCHEMBL6579909 0.75 CYP1A2 (0.51) LMNAHTTMAPTKMT2A
SCHEMBL6579512 0.73 TOP1 (0.40) LMNAHTTALDH1A1S100A4MAPT
SCHEMBL6579521 0.73 TOP1 (0.40) LMNAHTTALDH1A1S100A4MAPT
SCHEMBL6582308 0.73 MAPT (0.47) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL8004065 0.72 KDM4E (0.44) LMNAALDH1A1MAPTKMT2A
SCHEMBL7988381 0.71 HTT (0.42) LMNAHTTALDH1A1PKMS100A4
SCHEMBL7989452 0.70 MAPT (0.49) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL7998971 0.70 MAPT (0.49) LMNAHTTALDH1A1MAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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