SCHEMBL29015236

SCHEMBL29015236

C(=Cc1cccc(-c2ccccc2)c1C=Cc1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.34
BACE1 P56817 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CTNNB1 P35222 1/20 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
SCHEMBL21179490 0.89 APP (0.43) APPBACE1HDAC3HDAC4HDAC1
SCHEMBL27849770 0.83 NFE2L2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14196524 0.83 NFE2L2 (0.41) APPBACE1MEN1USP2ALDH1A1
SCHEMBL14196506 0.82 RELA (0.47) APPBACE1MEN1USP2ALDH1A1
SCHEMBL1464418 0.81 NFE2L2 (0.44) APPBACE1HDAC3HDAC4HDAC1
SCHEMBL14196507 0.81 RELA (0.46) APPHDAC1HDAC2HDAC6MEN1
SCHEMBL14196514 0.81 RELA (0.46) APPHDAC1HDAC2HDAC6MEN1
SCHEMBL39009 0.81 NFE2L2 (0.47) BACE1NFE2L2TRPA1PELI1
SCHEMBL14196550 0.80 NFE2L2 (0.39) APPBACE1MEN1USP2ALDH1A1
SCHEMBL14196529 0.80 NFE2L2 (0.39) APPBACE1MEN1USP2ALDH1A1

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