SCHEMBL29474207

SCHEMBL29474207

CC1(C)c2cc(Br)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.39
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CRHR2 Q13324 1/20 0.34
TLR9 Q9NR96 1/20 0.34
LRRK2 Q5S007 1/20 0.33
PTPRC P08575 1/20 0.32
PDE4B Q07343 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
SCHEMBL31692070 1.00 PDK2 (0.39) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL31836 1.00 PDK2 (0.39) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL4228852 1.00 PDK2 (0.39) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL15087195 0.96 PDK2 (0.42) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL16682938 0.95 PDK2 (0.38) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL16773745 0.94 ALDH1A1 (0.38) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL15907005 0.94 ALDH1A1 (0.38) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL12872056 0.93 MAPK1 (0.39) PDK2ALDH1A1KDM4EMAPTPDE4B
SCHEMBL15906989 0.92 CYP2A6 (0.41) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL13024062 0.91 CYP2A6 (0.40) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114207859-B Organic electronic device 德山新勒克斯有限公司 2025-02-14 CN disclosed
CN-114207861-B Organic electronic device 德山新勒克斯有限公司 2024-11-15 CN disclosed
CN-114207861-A Organic electronic device 德山新勒克斯有限公司 2022-03-18 CN disclosed
CN-114207859-A Organic electronic device 德山新勒克斯有限公司 2022-03-18 CN disclosed