SCHEMBL28819256

SCHEMBL28819256

COc1ccc(C=CC(=O)C=Cc2ccc(OCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.67
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.59
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 2/20 0.52
GPR183 P32249 4/20 0.51
KMT2A Q03164 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
APOBEC3A P31941 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL28819236 0.92 GPR183 (0.62) PKMLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL28819231 0.92 GPR183 (0.62) PKMLMNAPOLBALDH1A1GPR183
SCHEMBL28819240 0.91 PKM (0.81) PKMLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL28819260 0.90 PKM (0.53) PKMLMNAPOLBALDH1A1GAA
SCHEMBL28819228 0.90 PKM (0.53) PKMLMNAPOLBALDH1A1GAA
SCHEMBL28819253 0.88 LMNA (0.79) PKMLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL28819261 0.85 GPR183 (0.52) PKMLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL28948647 0.84 PKM (0.76) PKMLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL28819249 0.84 ALDH1A1 (0.58) PKMLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL28715632 0.83 PKM (0.77) PKMLMNAPOLBALDH1A1SMN1; SMN2

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