Zinc Ion

Zinc Ion

SCHEMBL31409746

C#CCOc1cccc(OCC#C)c1-c1c2nc(cc3ccc([nH]3)c(-c3c(OCC#C)cccc3OCC#C)c3nc(cc4ccc1[nH]4)C=C3)C=C2.[Zn+2]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ MAOB P27338 8/20 0.36
▸ TXNRD1 Q16881 1/20 0.32
▸ TXNRD3 Q86VQ6 1/20 0.32
▸ TXNRD2 Q9NNW7 1/20 0.32
▸ MAOA P21397 3/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2A6 P11509 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
Zinc Ion SCHEMBL31409747 1.00 STAT3 (0.48) STAT3STAT1MAOBTXNRD1TXNRD3
SCHEMBL31409740 0.99 STAT3 (0.49) STAT3STAT1MAOBTXNRD1TXNRD3
SCHEMBL825274 0.86 STAT3 (0.48) STAT3STAT1MAOBMAOA
SCHEMBL14841979 0.79 STAT3 (0.47) STAT3STAT1HTR1A
SCHEMBL5100067 0.79 STAT3 (0.47) STAT3STAT1
SCHEMBL30733335 0.79 STAT3 (0.47) STAT3STAT1CYP3A4
SCHEMBL14848833 0.74 STAT3 (0.45) STAT3STAT1CYP3A4
SCHEMBL14848838 0.73 STAT3 (0.44) STAT3STAT1CYP3A4
SCHEMBL14841716 0.72 STAT3 (0.41) STAT3STAT1
SCHEMBL20520075 0.72 STAT3 (0.59) 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
EP-4735535-A2 COMPOUNDS INCLUDING A WATER-SOLUBILIZATION MOTIF AND METHODS OF USE THEREOF North Carolina State University (US) 2026-05-06 — — EP disclosed
WO-2025006450-A2 COMPOUNDS INCLUDING A WATER-SOLUBILIZATION MOTIF AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY (US) 2025-01-02 — — WO disclosed
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