SCHEMBL28636244

SCHEMBL28636244

CCCCn1nnc(/C=C/C(C)=O)c1CCCCl

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.33
TOP2A P11388 1/20 0.32
SLC9A1 P19634 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL28641717 0.82
SCHEMBL28922708 0.80 HPGD (0.40) HCAR3SLC9A1HTT
SCHEMBL28624635 0.78 MEN1 (0.36) HTT
SCHEMBL28636949 0.76 GLA (0.42) HTT
SCHEMBL28636950 0.76 GLA (0.42) HTT
SCHEMBL28633072 0.73 LMNA (0.33) HCAR3HTT
SCHEMBL28622212 0.72 LMNA (0.36) HTT
SCHEMBL28628722 0.72 MEN1 (0.35) HCAR3HTT
SCHEMBL28641565 0.71 PARP1 (0.34)
SCHEMBL28633071 0.70 ATM (0.35)

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-109232448-B (E) -chloropropylketene/olefine aldehyde triazole compound and synthesis method thereof 陕西师范大学 2021-09-21 CN disclosed