SCHEMBL28638340

SCHEMBL28638340

CN(CCCn1c(C(=O)O)c(CCCOc2cccc3ccccc23)c2cccc(-c3c(COc4ccccc4)nn(C)c3CO)c21)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 0.57
BCL2 P10415 1/20 0.50
ALB P02768 2/20 0.49
PMAIP1 Q13794 2/20 0.44

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
SCHEMBL28637645 0.94 MCL1 (0.57) MCL1BCL2ALBPMAIP1
SCHEMBL28648137 0.94 MCL1 (0.56) MCL1BCL2ALBPMAIP1
SCHEMBL28643140 0.94 MCL1 (0.51) MCL1BCL2ALBPMAIP1
SCHEMBL19634883 0.94 MCL1 (0.51) MCL1BCL2ALBPMAIP1
SCHEMBL28656424 0.93 MCL1 (0.54) MCL1BCL2ALBPMAIP1
SCHEMBL28656449 0.93 MCL1 (0.54) MCL1BCL2ALBPMAIP1
SCHEMBL28637897 0.93 MCL1 (0.55) MCL1BCL2ALBPMAIP1
SCHEMBL28643114 0.93 MCL1 (0.51) MCL1BCL2ALBPMAIP1
SCHEMBL28647215 0.92 MCL1 (0.61) MCL1BCL2ALBPMAIP1
SCHEMBL28926855 0.91 MCL1 (0.59) MCL1BCL2ALBPMAIP1

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-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 CN disclosed