SCHEMBL28643450

SCHEMBL28643450

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.O=C(O)[Cu]

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ CYP1A2 P05177 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ PIN1 Q13526 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
Benzene SCHEMBL28299099 0.92 STAT3 (0.44) STAT3STAT1
SCHEMBL27926240 0.92 STAT3 (0.39) STAT3STAT1
Hydrogen Peroxide SCHEMBL28310892 0.89 STAT3 (0.43) STAT3STAT1
SCHEMBL27554464 0.87 STAT3 (0.39) STAT3STAT1
Acetic Acid SCHEMBL27711405 0.86 STAT3 (0.37) STAT3STAT1PIN1
Benzene SCHEMBL1525265 0.85 STAT3 (0.47) STAT3STAT1
SCHEMBL9430673 0.85 STAT3 (0.42) STAT3STAT1
SCHEMBL6517023 0.85 STAT3 (0.42) STAT3STAT1
SCHEMBL15809 0.85 STAT3 (0.42) STAT3STAT1
Malonic Acid SCHEMBL5133240 0.85 STAT3 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109663151-B Preparation method and application of tetracarboxyphenylporphyrin copper modified amino-rich stent material, and vascular stent material and application 西南交通大学 2021-09-21 — — CN disclosed
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