SCHEMBL11581925

SCHEMBL11581925

CCON(OCC)c1nc(NC(OC)OC)nc(N(OCC)OCC)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL4635113 0.78 LMNA (0.33) CYP1A2
SCHEMBL11708691 0.77 KMT2A (0.33) KMT2AMEN1CYP1A2L3MBTL1KDM4E
SCHEMBL11420956 0.77 LMNA (0.32) CYP1A2L3MBTL1ALDH1A1GAA
SCHEMBL62582 0.75 TP53 (0.33) KMT2AL3MBTL1KDM4EALDH1A1GAA
SCHEMBL3123080 0.73 GAA (0.39) KMT2AMEN1CYP1A2KDM4EALDH1A1
SCHEMBL11653043 0.69 LMNA (0.32) CYP1A2
SCHEMBL11420960 0.68 KCNH3 (0.32)
SCHEMBL8130300 0.68 MEN1 (0.33) KMT2AMEN1CYP1A2
SCHEMBL11018164 0.67 SLC29A1 (0.32) CYP1A2L3MBTL1GAA
SCHEMBL11650159 0.65 ALDH1A1 (0.32) ALDH1A1

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
US-4087394-A Aqueous dispersions of perfluoroolefin polymers containing film-forming materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-05-02 US disclosed