SCHEMBL7988296

SCHEMBL7988296

CCCCn1c(=O)c(OC(C)=O)c(O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 5/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 7/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL7992037 0.96 MAPT (0.47) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL7988474 0.96 MAPT (0.47) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL8001668 0.94 CYP1A2 (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL8004106 0.89 CYP1A2 (0.48) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL7998312 0.89 MAPT (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL8004065 0.88 KDM4E (0.44) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL8004579 0.88 CNR1 (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL7997731 0.88 MAPT (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL7998708 0.87 CNR2 (0.43) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL7999941 0.86 CNR1 (0.44) MEN1KMT2AMAPTKDM4ELMNA

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
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed