SCHEMBL31409752

SCHEMBL31409752

C#Cc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4c(OCc5cn(CCOCCOCCC(=O)O)nn5)cccc4OCc4cn(CCOCCOCCC(=O)O)nn4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 7/20 0.38
▸ FFAR1 O14842 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ GSK3B P49841 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ ABCB1 P08183 4/20 0.32
▸ ABCC1 P33527 4/20 0.32
▸ ABCG2 Q9UNQ0 4/20 0.32
▸ CACNA1F O60840 1/20 0.32
▸ CACNA1D Q01668 1/20 0.32
▸ CACNA1S Q13698 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ MGAM O43451 1/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGAV P06756 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
SCHEMBL31409748 0.92 NCF1 (0.44) NCF1FFAR1STAT3STAT1PARP1
SCHEMBL31409751 0.91 NCF1 (0.34) NCF1FFAR1STAT3STAT1PARP1
SCHEMBL31409750 0.82 NCF1 (0.39) NCF1FFAR1STAT3STAT1PARP1
SCHEMBL31409742 0.82 NCF1 (0.33) NCF1STAT3STAT1PARP1GSK3B
SCHEMBL31409743 0.81 NCF1 (0.44) NCF1STAT3STAT1DRD2DRD4
SCHEMBL31409741 0.73 NCF1 (0.41) NCF1STAT3STAT1DRD2DRD4
SCHEMBL1650933 0.68 STAT3 (0.60) STAT3STAT1ABCG2
SCHEMBL31409740 0.67 STAT3 (0.49) STAT3STAT1PARP1
Zinc Ion SCHEMBL31409747 0.66 STAT3 (0.48) STAT3STAT1PARP1
Zinc Ion SCHEMBL31409746 0.66 STAT3 (0.48) STAT3STAT1PARP1

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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