SCHEMBL31436074

SCHEMBL31436074

CC(C)(C)OC(=O)NCCCNc1nc(NCCCNC(=O)OC(C)(C)C)nc(NCCCn2ccnc2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49
QPCT Q16769 1/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL4781044 0.89 L3MBTL1 (0.60) NAMPTL3MBTL1MEN1KMT2ALMNA
Acetic Acid SCHEMBL28832331 0.86 L3MBTL1 (0.56) NAMPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL31421606 0.85 TBXAS1 (0.54) L3MBTL1MEN1KMT2ALMNAQPCT
SCHEMBL3530338 0.85 TBXAS1 (0.54) L3MBTL1MEN1KMT2ALMNAQPCT
SCHEMBL5052775 0.82 L3MBTL1 (0.49) NAMPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL31436060 0.82 STK17B (0.58) MEN1KMT2ALMNATSHRGAA
Butyric Acid SCHEMBL28832195 0.81 TBXAS1 (0.52) NAMPTL3MBTL1MEN1KMT2ALMNA
Iodide SCHEMBL2425744 0.80 L3MBTL1 (0.49) NAMPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL31436080 0.77 TDP1 (0.58) MEN1KMT2ALMNATSHRGAA
SCHEMBL31436112 0.77 TDP1 (0.62) MEN1KMT2ALMNATSHRGAA

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
WO-2025088570-A1 IONIZABLE LIPIDS AND IONIZABLE LIPID NANOPARTICLES CRISPR THERAPEUTICS AG (CH) 2025-05-01 WO disclosed