SCHEMBL8000642

SCHEMBL8000642

C=CCOc1c(OCC=C(C)C)c2ccc(N)cc2n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.38
KDM4E B2RXH2 8/20 0.37
ALDH1A1 P00352 7/20 0.37
CYP1B1 Q16678 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
ACHE P22303 1/20 0.37
MAPT P10636 5/20 0.34
ABCB1 P08183 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 4/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 5/20 0.33
BACE1 P56817 2/20 0.33
BRPF1 P55201 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL7998862 0.91 TDP1 (0.43) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL7998858 0.91 TDP1 (0.43) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL8003953 0.89 MAPT (0.42) TTRKDM4EALDH1A1CYP1B1LMNA
SCHEMBL7988871 0.87 TTR (0.39) TTRKDM4EALDH1A1CYP1B1MEN1
SCHEMBL7999009 0.87 KDM4E (0.41) KDM4EALDH1A1CYP1B1MEN1KMT2A
SCHEMBL7989041 0.87 TTR (0.38) TTRKDM4EALDH1A1CYP1B1MEN1
SCHEMBL7988520 0.87 ALDH1A1 (0.42) TTRKDM4EALDH1A1CYP1B1MEN1
SCHEMBL7997827 0.87 ALDH1A1 (0.42) TTRKDM4EALDH1A1CYP1B1MEN1
SCHEMBL8001275 0.86 TTR (0.38) TTRKDM4EALDH1A1MEN1KMT2A
SCHEMBL7999590 0.86 TDP1 (0.46) KDM4EALDH1A1MEN1KMT2AMAPT

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