SCHEMBL29148782

SCHEMBL29148782

Brc1c2ccccc2cc2cccc(-c3cc4cc5nc(cc6ccc(cc7nc(cc3[nH]4)C=C7)[nH]6)C=C5)c12

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 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
▸ CES1 P23141 1/20 0.32
▸ ERBB2 P04626 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ AHR P35869 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
SCHEMBL27893086 0.83 STAT3 (0.34) STAT3STAT1ALDH1A1HPGDTSHR
SCHEMBL11328891 0.82 STAT3 (0.39) STAT3STAT1CYP1A2
SCHEMBL28838451 0.82 STAT3 (0.36) STAT3STAT1
SCHEMBL28489793 0.81 STAT3 (0.38) STAT3STAT1CYP1A2
SCHEMBL11313167 0.81 STAT3 (0.38) STAT3STAT1CYP1A2
SCHEMBL11568376 0.81 STAT3 (0.38) STAT3STAT1CYP1A2
SCHEMBL28513504 0.81 STAT3 (0.38) STAT3STAT1CYP1A2
SCHEMBL11315720 0.81 STAT3 (0.38) STAT3STAT1CYP1A2
SCHEMBL29148784 0.81 ERBB2 (0.33) STAT3STAT1ERBB2CYP1A2FYN
SCHEMBL2940529 0.79 STAT3 (0.35) STAT3STAT1

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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