SCHEMBL28658581

SCHEMBL28658581

CC(C)OCc1nn(C)c(CO)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCCCN(C)C(=O)OC(C)(C)C)c12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 0.54
ALB P02768 2/20 0.48
BCL2 P10415 1/20 0.45
PMAIP1 Q13794 5/20 0.43
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41

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
SCHEMBL28656424 0.98 MCL1 (0.54) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL28642709 0.95 MCL1 (0.53) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL19634879 0.94 MCL1 (0.48) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL28637897 0.93 MCL1 (0.55) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL21802273 0.92 MCL1 (0.48) MCL1ALBBCL2PMAIP1BAD
SCHEMBL19635815 0.92 MCL1 (0.48) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL28648137 0.92 MCL1 (0.56) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL28638340 0.91 MCL1 (0.57) MCL1ALBBCL2PMAIP1
SCHEMBL28656449 0.90 MCL1 (0.54) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL19634881 0.88 MCL1 (0.47) MCL1ALBBCL2PMAIP1BCL2L1

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