SCHEMBL29106961

SCHEMBL29106961

Brc1cc2ccc3cc(Br)c4c(Br)cc5ccc6cc(Br)c1c1c2c3c4c5c61

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30702232 1.00 CYP2A6 (0.32) CYP2A6ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL31197160 0.75 CYP1A2 (0.37) ALDH1A1TDP1L3MBTL1
SCHEMBL23291424 0.73 CYP2A6 (0.31) CYP2A6ALDH1A1
SCHEMBL27402 0.72 CYP1A2 (0.44) CYP2A6ALDH1A1MAPK1TDP1
SCHEMBL16997357 0.72 APEX1 (0.33) ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL29354165 0.72 CYP1A2 (0.44) CYP2A6ALDH1A1MAPK1TDP1
SCHEMBL5470770 0.72 CYP1A2 (0.44) CYP2A6ALDH1A1MAPK1TDP1
SCHEMBL27321588 0.72 CYP1A2 (0.44) CYP2A6ALDH1A1MAPK1TDP1
SCHEMBL31241168 0.69 CYP1A2 (0.41) CYP2A6ALDH1A1TDP1
SCHEMBL29629125 0.69 CYP1A2 (0.41) CYP2A6ALDH1A1TDP1

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-117067709-A Graphene foam block formed by stacking multiple layers of films and preparation method and application thereof 西京学院 2023-11-17 CN claimed
CN-117067709-A Graphene foam block formed by stacking multiple layers of films and preparation method and application thereof 西京学院 2023-11-17 CN disclosed