SCHEMBL8000218

SCHEMBL8000218

CCCCCCCCOc1c(OC)c2ccc(NC(=O)c3ccccc3)cc2n(CCCCCC)c1=O.CCCCCCn1c(=O)c(OCC(C)CCC)c(O)c2ccc(NC(=O)c3ccccc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TYMS P04818 1/20 0.41
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8001377 0.94 MAPT (0.44) MEN1KMT2ATYMSMAPT
SCHEMBL8080800 0.93 MEN1 (0.48) MEN1KMT2ATYMSHTTSMN1; SMN2
SCHEMBL8001066 0.93 NR1H4 (0.42) MEN1KMT2ATYMSMAPT
SCHEMBL7998961 0.91 NR1H4 (0.42) MEN1KMT2AMAPT
SCHEMBL8074612 0.89 MAPT (0.48) MEN1KMT2AMAPT
SCHEMBL8002281 0.88 MEN1 (0.53) MEN1KMT2ATYMSHTTSMN1; SMN2
SCHEMBL8001670 0.88 MEN1 (0.53) MEN1KMT2ATYMSHTTSMN1; SMN2
SCHEMBL7998813 0.84 NR1H4 (0.48) MEN1KMT2ATYMSMAPT
SCHEMBL7997374 0.84 MEN1 (0.38) MEN1KMT2ATYMSHTTMAPT
SCHEMBL7997373 0.84 MEN1 (0.38) MEN1KMT2ATYMSHTTMAPT

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 2 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
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