SCHEMBL30124935

SCHEMBL30124935

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc43)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.43
MAPT P10636 3/20 0.36
THRB P10828 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
XBP1 P17861 1/20 0.36
PTBP1 P26599 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36
SMAD3 P84022 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL13557852 1.00 PDK2 (0.43) PDK2MAPTTHRBMEN1LMNA
SCHEMBL29373904 1.00 PDK2 (0.43) PDK2MAPTTHRBMEN1LMNA
SCHEMBL17412444 1.00 PDK2 (0.43) PDK2MAPTTHRBMEN1LMNA
SCHEMBL808061 1.00 PDK2 (0.43) PDK2MAPTTHRBMEN1LMNA
SCHEMBL13774977 1.00 PDK2 (0.43) PDK2MAPTTHRBMEN1LMNA
SCHEMBL24646978 1.00 PDK2 (0.43) PDK2MAPTTHRBMEN1LMNA
SCHEMBL133016 1.00 PDK2 (0.43) PDK2MAPTTHRBMEN1LMNA
SCHEMBL15892503 1.00 PDK2 (0.43) PDK2MAPTTHRBMEN1LMNA
SCHEMBL22425243 1.00 PDK2 (0.43) PDK2MAPTTHRBMEN1LMNA
SCHEMBL29589656 1.00 PDK2 (0.43) PDK2MAPTTHRBMEN1LMNA

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-115589759-A Exciplex and organic electroluminescent element 常州强力昱镭光电材料有限公司 2023-01-10 CN disclosed