SCHEMBL28486323

SCHEMBL28486323

C1=Cc2cc3cc(-c4ccc5ccc6cccc7ccc4c5c67)c(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.[Mn]

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ 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
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL430371 0.99 STAT3 (0.34) STAT3STAT1ERBB2CYP1A2FYN
SCHEMBL28501396 0.97 STAT3 (0.33) STAT3STAT1ERBB2CYP1A2FYN
SCHEMBL226506 0.84 STAT3 (0.35) STAT3STAT1ERBB2CYP1A2FYN
SCHEMBL28489793 0.83 STAT3 (0.38) STAT3STAT1CYP1A2CYP3A4
SCHEMBL430372 0.81 STAT3 (0.50) STAT3STAT1ERBB2CYP1A2FYN
SCHEMBL11328891 0.81 STAT3 (0.39) STAT3STAT1CYP1A2CYP3A4
SCHEMBL11315720 0.80 STAT3 (0.38) STAT3STAT1CYP1A2CYP3A4
SCHEMBL11568376 0.80 STAT3 (0.38) STAT3STAT1CYP1A2CYP3A4
SCHEMBL28513504 0.80 STAT3 (0.38) STAT3STAT1CYP1A2CYP3A4
SCHEMBL11313167 0.80 STAT3 (0.38) STAT3STAT1CYP1A2CYP3A4

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-111995506-A Method for oxidizing cycloparaffin through synergistic catalysis of limited-domain metalloporphyrin manganese (II)/Zn (II) salt 浙江工业大学 2020-11-27 — — CN disclosed
CN-111943810-A Method for oxidizing cycloparaffin through synergistic catalysis of limited-domain metalloporphyrin manganese (II)/Cu (II) salt 浙江工业大学 2020-11-17 — — CN disclosed
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