SCHEMBL28643135

SCHEMBL28643135

CCc1c(-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)n(CCCN(C)C(=O)OC(C)(C)C)c23)c(CBr)nn1C

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.63
PMAIP1 Q13794 6/20 0.51
ALB P02768 2/20 0.51
BCL2 P10415 3/20 0.46
BAD Q92934 2/20 0.45
BCL2L1 Q07817 1/20 0.45

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
SCHEMBL19615921 0.94 MCL1 (0.55) MCL1PMAIP1ALBBCL2BAD
SCHEMBL28637851 0.93 MCL1 (0.54) MCL1PMAIP1ALBBCL2BAD
SCHEMBL28642283 0.91 MCL1 (0.55) MCL1PMAIP1ALBBCL2BAD
SCHEMBL28651301 0.91 MCL1 (0.52) MCL1PMAIP1ALBBCL2BAD
SCHEMBL28656194 0.91 MCL1 (0.56) MCL1PMAIP1ALBBCL2BAD
SCHEMBL28637645 0.91 MCL1 (0.57) MCL1PMAIP1ALBBCL2
SCHEMBL28652809 0.90 MCL1 (0.58) MCL1PMAIP1ALBBCL2BAD
SCHEMBL28642645 0.90 MCL1 (0.54) MCL1PMAIP1ALBBCL2BAD
SCHEMBL28647049 0.90 MCL1 (0.55) MCL1PMAIP1ALBBCL2BAD
SCHEMBL28642379 0.89 MCL1 (0.54) MCL1PMAIP1ALBBCL2BAD

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