SCHEMBL20114170

SCHEMBL20114170

CC1(C)OB(c2ccc3c(c2)Sc2ccccc2N3c2ccc(N(c3ccccc3)c3ccccc3)cc2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.37
LIPG Q9Y5X9 8/20 0.37
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
P4HB P07237 1/20 0.30
IDO1 P14902 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
SCHEMBL13832944 0.90 LPL (0.43) LPLLIPGHDAC6MEN1KMT2A
SCHEMBL20114153 0.88 LIPG (0.52) LPLLIPGHDAC6MEN1KMT2A
SCHEMBL3476592 0.83 HDAC6 (0.38) LPLLIPGHDAC6MEN1KMT2A
SCHEMBL18267536 0.83 LPL (0.49) LPLLIPGHDAC6NOX1P4HB
SCHEMBL29662259 0.83 LPL (0.49) LPLLIPGHDAC6NOX1P4HB
SCHEMBL20114087 0.82 LPL (0.39) LPLLIPGP4HBIDO1TDO2
SCHEMBL20114185 0.82 LPL (0.48) LPLLIPGHDAC6MEN1KMT2A
SCHEMBL20114063 0.81 LIPG (0.47) LPLLIPGHDAC6MEN1KMT2A
SCHEMBL20114173 0.81 LIPG (0.52) LPLLIPGHDAC6MEN1KMT2A
SCHEMBL20114180 0.79 LIPG (0.44) LPLLIPGHDAC6MEN1KMT2A

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