SCHEMBL24378192

SCHEMBL24378192

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc(-c3c(COc4ccc(N5CCN([S+]([O-])N(C)C)CC5)cc4)nn(C)c3CBr)c2n1CCCNCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 0.54
BCL2 P10415 1/20 0.49
ALB P02768 2/20 0.41
PMAIP1 Q13794 1/20 0.38

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
SCHEMBL24378004 0.94 MCL1 (0.56) MCL1BCL2ALBPMAIP1
SCHEMBL19634916 0.91 MCL1 (0.61) MCL1BCL2ALBPMAIP1
Hydrochloric Acid SCHEMBL19616588 0.90 MCL1 (0.60) MCL1BCL2ALBPMAIP1
SCHEMBL19635313 0.90 MCL1 (0.59) MCL1BCL2ALBPMAIP1
SCHEMBL19635056 0.84 MCL1 (0.56) MCL1BCL2ALBPMAIP1
SCHEMBL19635442 0.84 MCL1 (0.67) MCL1BCL2ALBPMAIP1
SCHEMBL19635308 0.84 MCL1 (0.56) MCL1BCL2ALBPMAIP1
SCHEMBL19635248 0.84 MCL1 (0.62) MCL1BCL2ALBPMAIP1
SCHEMBL19635261 0.84 MCL1 (0.59) MCL1BCL2ALBPMAIP1
Hydrochloric Acid SCHEMBL29602028 0.83 MCL1 (0.66) 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
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed