SCHEMBL28539591

SCHEMBL28539591

Cn1c2ccccc2c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR3 P46089 1/20 0.37
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
PABPC1 P11940 1/20 0.34
NPY5R Q15761 1/20 0.32
PDK2 Q15119 2/20 0.32
KIF11 P52732 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
SCHEMBL25563039 0.97 KDM4E (0.36) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28546835 0.93 KDM4E (0.36) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12560196 0.91 KDM4E (0.40) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25563154 0.91 KDM4E (0.40) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25563118 0.90 HSD17B10 (0.33) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25563043 0.90 KDM4E (0.37) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL24797227 0.88 PDK2 (0.37) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12560091 0.88 KDM4E (0.39) KDM4EL3MBTL1PDK2
SCHEMBL25563620 0.87 KDM4E (0.38) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25563549 0.87 KDM4E (0.38) MAPTKDM4EALDH1A1HPGDHSD17B10

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
CN-112500326-A Hole transport/exciton blocking material with high triplet state energy level and high glass transition temperature, preparation and application 华南理工大学 2021-03-16 CN disclosed