SCHEMBL31409741

SCHEMBL31409741

COCCOCCOCCOCCOCCOCCn1cc(COc2cc(OCc3cn(CCOCCOCCOCCOCCOCCOC)nn3)cc(-c3c4nc(cc5ccc([nH]5)c(-c5cc(OCc6cn(CCOCCOCCOCCOCCOCCOC)nn6)cc(OCc6cn(CCOCCOCCOCCOCCOCCOC)nn6)c5)c5nc(cc6ccc3[nH]6)C=C5)C=C4)c2)nn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 17/20 0.41
▸ CYBB P04839 1/20 0.41
▸ NOX5 Q96PH1 1/20 0.41
▸ STAT3 P40763 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL31409743 0.87 NCF1 (0.44) NCF1CYBBNOX5STAT3STAT1
SCHEMBL6711729 0.84 STAT3 (0.49) STAT3STAT1
SCHEMBL31409748 0.76 NCF1 (0.44) NCF1CYBBNOX5STAT3STAT1
SCHEMBL4745594 0.76 STAT3 (0.52) STAT3STAT1
SCHEMBL6804332 0.74 STAT3 (0.59) STAT3STAT1
SCHEMBL28879055 0.74 STAT3 (0.49) STAT3STAT1
SCHEMBL31409750 0.74 NCF1 (0.39) NCF1CYBBNOX5STAT3STAT1
SCHEMBL29395084 0.73 STAT3 (0.50) STAT3STAT1
SCHEMBL31409752 0.73 NCF1 (0.38) NCF1STAT3STAT1DRD2DRD4
SCHEMBL2942315 0.72 STAT3 (0.56) 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
Send feedback