SCHEMBL28469965

SCHEMBL28469965

COC(OC)c1ccnc(C2(CC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(C)=O)CCCCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPT P10636 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL28470678 0.97 SMN1; SMN2 (0.37) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1
SCHEMBL28467928 0.81 — —
SCHEMBL20745088 0.80 SMN1; SMN2 (0.38) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1
SCHEMBL28464096 0.80 — —
SCHEMBL20745446 0.79 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1
SCHEMBL28473481 0.77 — —
SCHEMBL20745437 0.76 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1
SCHEMBL20745127 0.74 SMN1; SMN2 (0.34) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1
SCHEMBL20745907 0.74 L3MBTL1 (0.36) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1
SCHEMBL20745118 0.73 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1

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-111818916-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2020-10-23 — — CN disclosed
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