SCHEMBL19635308

SCHEMBL19635308

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc(-c3c(CBr)nn(C)c3COc3ccc(N4CCN([S+]([O-])N(C)C)CC4)cc3)c2n1CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 0.56
BCL2 P10415 1/20 0.50
ALB P02768 2/20 0.39
PMAIP1 Q13794 3/20 0.37

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
SCHEMBL19635300 0.96 MCL1 (0.57) MCL1BCL2ALBPMAIP1
SCHEMBL30035990 0.91 MCL1 (0.62) MCL1BCL2ALBPMAIP1
SCHEMBL21802263 0.91 MCL1 (0.62) MCL1BCL2ALBPMAIP1
SCHEMBL19635313 0.90 MCL1 (0.59) MCL1BCL2ALBPMAIP1
SCHEMBL19615431 0.88 MCL1 (0.62) MCL1BCL2ALBPMAIP1
SCHEMBL19635784 0.87 MCL1 (0.57) MCL1BCL2ALBPMAIP1
SCHEMBL19634861 0.87 MCL1 (0.59) MCL1BCL2ALBPMAIP1
SCHEMBL19635306 0.86 MCL1 (0.49) MCL1BCL2ALBPMAIP1
SCHEMBL19615337 0.86 MCL1 (0.62) MCL1BCL2ALBPMAIP1
SCHEMBL24378004 0.86 MCL1 (0.56) 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
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed