SCHEMBL28501706

SCHEMBL28501706

CNCCOCCNC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 4/20 0.38
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
FBP1 P09467 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 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
SCHEMBL25344862 0.98 MEN1 (0.48) MEN1KMT2ASMN1; SMN2LMNACYP2D6
SCHEMBL25253965 0.98 MEN1 (0.48) MEN1KMT2ASMN1; SMN2LMNACYP2D6
SCHEMBL21071069 0.98 MEN1 (0.48) MEN1KMT2ASMN1; SMN2LMNACYP2D6
SCHEMBL8958406 0.88 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2LMNACYP2D6
SCHEMBL8958557 0.85 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNACYP2D6
SCHEMBL18173574 0.85 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNACYP2D6
SCHEMBL8958237 0.85 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNACYP2D6
SCHEMBL9447837 0.85 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNACYP2D6
SCHEMBL8958401 0.85 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNACYP2D6
SCHEMBL21997079 0.83 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2CYP2C19KDM4E

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
CN-112236172-A Methods and compounds for treating disorders 福宏治疗公司 2021-01-15 CN disclosed
CN-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed