SCHEMBL29385368

SCHEMBL29385368

Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc(-c2cccc3cc4ccccc4cc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
DNMT1 P26358 1/20 0.33
RXFP1 Q9HBX9 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
FBP1 P09467 1/20 0.30

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
SCHEMBL17402872 0.89 HDAC8 (0.41) DNMT1HDAC8HDAC6L3MBTL1KDM4E
SCHEMBL3663582 0.86 KDM4E (0.41) RXFP1MEN1KMT2AHDAC8HDAC6
SCHEMBL30463515 0.86 KDM4E (0.41) RXFP1MEN1KMT2AHDAC8HDAC6
SCHEMBL9890871 0.84 L3MBTL1 (0.47) HDAC8HDAC6L3MBTL1KDM4EATM
SCHEMBL17402756 0.83 MEN1 (0.38) CYP2A6DNMT1RXFP1MEN1KMT2A
SCHEMBL30005900 0.81 L3MBTL1 (0.50) MEN1KMT2AHDAC8HDAC6L3MBTL1
SCHEMBL18395044 0.81 L3MBTL1 (0.50) MEN1KMT2AHDAC8HDAC6L3MBTL1
SCHEMBL27831504 0.81 CYP2A6 (0.43) CYP2A6HDAC8HDAC6L3MBTL1KDM4E
SCHEMBL25460353 0.80 CYP2A6 (0.47) CYP2A6L3MBTL1KDM4EATMALDH1A1
SCHEMBL30005762 0.80 L3MBTL1 (0.48) MEN1KMT2AHDAC8HDAC6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031754-B Thermal activation delayed fluorescent polymer and application thereof 南京邮电大学 2024-08-16 CN disclosed
CN-114031754-A Thermally activated delayed fluorescence polymer and application thereof 南京邮电大学 2022-02-11 CN disclosed