SCHEMBL31499052

SCHEMBL31499052

NC(=O)C1CCN(CC2CCNC2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.39
GAA P10253 3/20 0.37
SMYD3 Q9H7B4 1/20 0.37
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL27668401 0.73 L3MBTL1 (0.65) SMN1; SMN2MEN1KMT2AL3MBTL1APEX1
SCHEMBL31499077 0.72 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AL3MBTL1APEX1
SCHEMBL3580053 0.71 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AGAASMYD3KDM4E
SCHEMBL4035398 0.71 SMN1; SMN2 (0.62) SMN1; SMN2GAASMYD3ALDH1A1KDM4E
SCHEMBL27562499 0.70 TSHR (0.35) L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL27659724 0.70 SMN1; SMN2 (0.60) SMN1; SMN2GAASMYD3ALDH1A1KDM4E
SCHEMBL30584851 0.69 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AGAASMYD3ALDH1A1
SCHEMBL4732821 0.68 SMN1; SMN2 (0.58) SMN1; SMN2GAASMYD3LTA4HALDH1A1
Hydrochloric Acid SCHEMBL30584820 0.68 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AGAASMYD3ALDH1A1
SCHEMBL24486583 0.67 GAA (0.35) KMT2AL3MBTL1GAAALDH1A1KDM4E

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