SCHEMBL23936600

SCHEMBL23936600

CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.39
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CRHR2 Q13324 1/20 0.31
TLR9 Q9NR96 1/20 0.31

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
SCHEMBL23936681 0.94 PDK2 (0.39) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL23936682 0.93 PDK2 (0.40) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL23936815 0.93 PDK2 (0.42) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL23936680 0.93 PDK2 (0.42) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL23936631 0.92 PDK2 (0.40) PDK2L3MBTL1MAPTMEN1KMT2A
SCHEMBL23936630 0.92 PDK2 (0.40) PDK2L3MBTL1MAPTMEN1KMT2A
SCHEMBL23936601 0.92 PDK2 (0.40) PDK2L3MBTL1MAPTMEN1KMT2A
SCHEMBL23936604 0.91 PDK2 (0.41) PDK2L3MBTL1MAPTTDP1MEN1
SCHEMBL23936629 0.90 PDK2 (0.46) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL23936683 0.89 PDK2 (0.43) PDK2

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
US-20210328150-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed