SCHEMBL20114079

SCHEMBL20114079

CC1(C)OB(c2ccc3c(c2)Oc2ccccc2N3c2cccc3c2oc2ccccc23)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
LPL P06858 4/20 0.35
LIPG Q9Y5X9 4/20 0.35
CSF1R P07333 1/20 0.34
EGFR P00533 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
ALOX5 P09917 2/20 0.30
PGR P06401 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL20114106 0.91 LIPG (0.36) MEN1CYP2C19KMT2ALPLLIPG
SCHEMBL20114075 0.85 LPL (0.35) MEN1KMT2ALPLLIPGCSF1R
SCHEMBL20114091 0.83 MEN1 (0.35) MEN1CYP2C19KMT2ALPLLIPG
SCHEMBL20114222 0.81
SCHEMBL22958676 0.81 LIPG (0.43) LPLLIPGEGFRIRAK4PRMT5
SCHEMBL29874908 0.79 CSF1R (0.41) MEN1CYP2C19KMT2ALPLLIPG
SCHEMBL13833029 0.78 LIPG (0.45) LPLLIPGEGFRIRAK4PRMT5
SCHEMBL22958768 0.77 LIPG (0.42) LPLLIPGEGFRIRAK4IDO1
SCHEMBL20114288 0.77 LIPG (0.35) MEN1CYP2C19KMT2ALPLLIPG
SCHEMBL16985927 0.77 MEN1 (0.37) MEN1CYP2C19KMT2ALPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed