SCHEMBL31499077

SCHEMBL31499077

NC(=O)C1CCN(CC2CNC(=O)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
GAA P10253 3/20 0.36
SMYD3 Q9H7B4 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
FEN1 P39748 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
SCHEMBL18896664 0.78 ACHE (0.49) HTTFEN1
SCHEMBL4035398 0.77 SMN1; SMN2 (0.62) SMN1; SMN2JAK2JAK1TYK2GAA
SCHEMBL31539630 0.76 CHRM5 (0.45) SMN1; SMN2FEN1
Hydrochloric Acid SCHEMBL27659724 0.76 SMN1; SMN2 (0.60) SMN1; SMN2JAK2JAK1TYK2GAA
SCHEMBL4732821 0.74 SMN1; SMN2 (0.58) SMN1; SMN2JAK2JAK1TYK2GAA
SCHEMBL30584851 0.74 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AJAK2JAK1TYK2
SCHEMBL3580053 0.73 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AJAK2JAK1TYK2
SCHEMBL30929650 0.73 ACHE (0.41) FEN1
Hydrochloric Acid SCHEMBL30584820 0.73 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AJAK2JAK1TYK2
SCHEMBL31499052 0.72 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AAPEX1TDP1

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
CN-119431317-A Cyanuric chloride trisubstituted amine derivative as antiviral, preparation method and application thereof 中国科学院上海药物研究所 2025-02-14 CN disclosed