SCHEMBL30450697

SCHEMBL30450697

c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(c3ccc(N(c5ccccc5)c5ccccc5)cc3)(c3ccc(N(c5ccccc5)c5ccccc5)cc3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.40
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
OPRK1 P41145 1/20 0.37
TDP2 O95551 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ATM Q13315 2/20 0.33

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
SCHEMBL13937776 0.98 PDK2 (0.42) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL12978477 0.97 PDK2 (0.41) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL21587279 0.97 PDK2 (0.40) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL17461758 0.94 PDK2 (0.38) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL14559307 0.93 KDM4E (0.37) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL17790273 0.93 PDK2 (0.43) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL12978457 0.93 MEN1 (0.42) PDK2MAPTKDM4EMEN1KMT2A
SCHEMBL19154225 0.93 MAPT (0.51) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL12978435 0.93 MEN1 (0.42) PDK2MAPTKDM4EMEN1KMT2A
SCHEMBL24904570 0.92 PDK2 (0.43) PDK2MAPTL3MBTL1KDM4EALDH1A1

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-116261385-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2023-06-13 CN disclosed