SCHEMBL28633072

SCHEMBL28633072

CC(=O)/C=C/c1nnn(C2CCCC2)c1CCCCl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
HCAR3 P49019 2/20 0.30
ADORA2A P29274 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
SCHEMBL28628722 0.99 MEN1 (0.35) LMNAMEN1KMT2AUSP2ALDH1A1
SCHEMBL28641710 0.82 MEN1 (0.35) LMNAMEN1KMT2AUSP2ALDH1A1
SCHEMBL28628731 0.81 ADORA2A (0.30) ADORA2A
SCHEMBL28622426 0.77 TSHR (0.34) LMNAMEN1KMT2AUSP2ALDH1A1
SCHEMBL28638173 0.76 MEN1 (0.36) LMNAMEN1KMT2AUSP2ALDH1A1
SCHEMBL28635812 0.76 MEN1 (0.36) LMNAMEN1KMT2AUSP2ALDH1A1
SCHEMBL28629208 0.75 HDAC1 (0.35) KMT2AALDH1A1MAPTTSHRNPSR1
SCHEMBL28641717 0.73
SCHEMBL28636244 0.73 HCAR3 (0.33) HTTHCAR3
SCHEMBL28922708 0.71 HPGD (0.40) MEN1KMT2ATSHRHTTNPSR1

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