SCHEMBL28658276

SCHEMBL28658276

CN(CCCn1c(C(=O)O)c(CCCOc2cccc3ccccc23)c2cccc(-c3c(CN4CCOCC4)nn(C)c3CBr)c21)C(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.66
ALB P02768 2/20 0.60
BCL2 P10415 2/20 0.54
PMAIP1 Q13794 5/20 0.48
BCL2L1 Q07817 2/20 0.47
BAD Q92934 2/20 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
SCHEMBL28645744 0.95 MCL1 (0.67) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL19634872 0.94 MCL1 (0.59) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL28642652 0.91 MCL1 (0.68) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL28925503 0.91 MCL1 (0.60) MCL1ALBBCL2PMAIP1
SCHEMBL19635901 0.90 MCL1 (0.60) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL28642283 0.89 MCL1 (0.55) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL28637645 0.89 MCL1 (0.57) MCL1ALBBCL2PMAIP1
SCHEMBL19635777 0.89 MCL1 (0.60) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL28652809 0.89 MCL1 (0.58) MCL1ALBBCL2PMAIP1BCL2L1
SCHEMBL28643135 0.88 MCL1 (0.63) 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