SCHEMBL30559585

SCHEMBL30559585

COc1ccc2c(c1)CCNC2(C)CC(=O)Nc1nccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
PKM P14618 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 3/20 0.48
PCSK9 Q8NBP7 4/20 0.47
MAP1LC3B Q9GZQ8 4/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNA5 P22460 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.44
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGDS O60760 1/20 0.43

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
SCHEMBL23240039 0.87 PCSK9 (0.57) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL23239863 0.87 PCSK9 (0.57) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL19996145 0.83 PCSK9 (0.58) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL19995857 0.83 PCSK9 (0.58) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL23240040 0.83 PCSK9 (0.53) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL20001122 0.82 PCSK9 (0.51) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL30228593 0.82 PCSK9 (0.51) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL22687381 0.82 PCSK9 (0.51) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL22697379 0.81 PCSK9 (0.49) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL22687410 0.81 PCSK9 (0.49) RAB9ANPC1PKMALDH1A1LMNA

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
WO-2023165373-A1 MICROMOLECULAR PCSK9 PROTEIN DEGRADATION AGENT, PREPARATION METHOD THEREFOR, AND USE THEREOF 复旦大学 2023-09-07 WO disclosed