SCHEMBL28819259

SCHEMBL28819259

COc1ccc(C=CC(=O)C=Cc2ccc(OCCN3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3=O)cc2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 3/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CAPN1 P07384 1/20 0.40
CTSB P07858 1/20 0.40
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL28819258 0.92 CYP1A1 (0.45) GPR183L3MBTL1HDAC1LMNASMN1; SMN2
SCHEMBL28819245 0.88 LMNA (0.52) GPR183L3MBTL1HDAC1LMNASMN1; SMN2
SCHEMBL28819241 0.88 LMNA (0.48) GPR183L3MBTL1HDAC1LMNASMN1; SMN2
SCHEMBL28819261 0.84 GPR183 (0.52) GPR183L3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL28819248 0.83 ALDH1A1 (0.43) GPR183HDAC1LMNASMN1; SMN2MAPT
SCHEMBL28819227 0.80 L3MBTL1 (0.55) GPR183L3MBTL1HDAC1LMNASMN1; SMN2
SCHEMBL28819260 0.76 PKM (0.53) GPR183LMNAMAPTMEN1KMT2A
SCHEMBL28819247 0.71 LMNA (0.54) GPR183LMNASMN1; SMN2MAPTKMT2A
SCHEMBL28819242 0.71 LMNA (0.58) GPR183HDAC1LMNASMN1; SMN2MAPT
SCHEMBL28838366 0.68 MAPT (0.67) SMN1; SMN2MAPTMEN1KMT2AALDH1A1

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-114634465-A Sulfonyl piperazine-containing pentadiene ketone derivative and preparation method and application thereof 贵州大学 2022-06-17 CN disclosed