SCHEMBL30679531

SCHEMBL30679531

Brc1c2ccccc2cc2cccc(-c3c4nc(c(-c5cccc6cc7ccccc7c(Br)c56)c5ccc([nH]5)c(-c5cccc6cc7ccccc7c(Br)c56)c5nc(c(-c6cccc7cc8ccccc8c(Br)c67)c6ccc3[nH]6)C=C5)C=C4)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.38
▸ TERT O14746 2/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ ERBB2 P04626 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ TOP1 P11387 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYCS P99999 2/20 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
SCHEMBL10609096 0.80 TERT (0.39) TERTSTAT3STAT1TOP1CYCS
SCHEMBL31055464 0.78 GSK3B (0.46) TERTTOP1CYCS
SCHEMBL4320743 0.78 GSK3B (0.46) TERTTOP1CYCS
SCHEMBL31055466 0.78 GSK3B (0.46) TERTTOP1CYCS
SCHEMBL31055465 0.78 GSK3B (0.46) TERTTOP1CYCS
SCHEMBL9681352 0.77 TERT (0.42) TERTSTAT3STAT1TOP1CYCS
SCHEMBL18091353 0.75 TERT (0.41) TERTSTAT3STAT1TOP1CYCS
SCHEMBL9365601 0.74 TERT (0.42) TERTSTAT3STAT1TOP1CYCS
SCHEMBL30530582 0.72 TERT (0.41) TERTSTAT3STAT1TOP1CYCS
SCHEMBL28425198 0.72 ALDH1A1 (0.48) CES1ERBB2CYP1A2FYNMAOA

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-117164446-A Photocatalytic oxidative degradation method for polymer containing styrene structural unit 大连理工大学 2023-12-05 — — CN claimed
CN-117164446-A Photocatalytic oxidative degradation method for polymer containing styrene structural unit 大连理工大学 2023-12-05 — — CN disclosed
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