SCHEMBL30717256

SCHEMBL30717256

Brc1cc(I)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACHE P22303 3/20 0.36
BCHE P06276 2/20 0.36
GPR3 P46089 1/20 0.33
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR6 P50406 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
SCHEMBL27096205 1.00 KDM4E (0.39) KDM4EATML3MBTL1ALDH1A1ACHE
SCHEMBL30634070 0.85 ALDH1A1 (0.39) KDM4EATML3MBTL1ALDH1A1ACHE
SCHEMBL26129530 0.85 ALDH1A1 (0.39) KDM4EATML3MBTL1ALDH1A1ACHE
SCHEMBL29457349 0.81 KDM4E (0.48) KDM4EATML3MBTL1ALDH1A1ACHE
SCHEMBL3865125 0.81 KDM4E (0.48) KDM4EATML3MBTL1ALDH1A1ACHE
SCHEMBL31302096 0.80 KDM4E (0.50) KDM4EATML3MBTL1ALDH1A1ACHE
SCHEMBL16890288 0.79 KDM4E (0.46) KDM4EATML3MBTL1ALDH1A1ACHE
SCHEMBL26123024 0.79 KDM4E (0.39) KDM4EATML3MBTL1ALDH1A1ACHE
SCHEMBL28211009 0.79 ALDH1A1 (0.44) KDM4EATML3MBTL1ALDH1A1GPR3
SCHEMBL25844972 0.79 KDM4E (0.39) KDM4EATML3MBTL1ALDH1A1ACHE

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-117466930-A Organic electroluminescent material and device 环球展览公司 2024-01-30 CN disclosed