SCHEMBL17416613

SCHEMBL17416613

CCc1c(CNN(C(=O)c2ccc(C(=O)OC)cn2)C(C)(C)C)cccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
AHR P35869 1/20 0.40
P4HTM Q9NXG6 3/20 0.38
POLB P06746 1/20 0.37
CD274 Q9NZQ7 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HPGD P15428 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL5058529 0.83 ABCB1 (0.48) MAPK1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL14916718 0.78 ABCB1 (0.55) CYP3A4
SCHEMBL9101240 0.76 MAPK1 (0.43) MAPK1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL5057244 0.67 ABCB1 (0.49) L3MBTL1KMT2AMEN1TSHR
SCHEMBL18091867 0.67 ABCB1 (0.42) CYP3A4TSHR
SCHEMBL668072 0.65 ABCB1 (0.47) KDM4EL3MBTL1KMT2AMEN1POLB
SCHEMBL6592083 0.65 MAPK1 (0.72) MAPK1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL9102034 0.65 ABCB1 (0.54)
SCHEMBL5053826 0.65 ABCB1 (0.51) KMT2A
SCHEMBL4481417 0.64 MAPK1 (0.56) MAPK1KDM4EL3MBTL1KMT2AP4HTM

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
EP-2460786-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-01-13 EP disclosed