SCHEMBL19635392

SCHEMBL19635392

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCN(Cc1ccccc1)Cc1c-3c(COc2ccc(N3CCN([S+]([O-])N(C)C)CC3)cc2)nn1C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.51
BCL2 P10415 1/20 0.46
PMAIP1 Q13794 7/20 0.44
BCL2L1 Q07817 2/20 0.44
BAD Q92934 2/20 0.44

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
SCHEMBL19635363 0.95 MCL1 (0.56) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL19635251 0.93 MCL1 (0.50) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL19635380 0.90 MCL1 (0.58) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL19635773 0.89 MCL1 (0.55) MCL1BCL2BCL2L1BAD
SCHEMBL23251283 0.89 MCL1 (0.49) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL19635055 0.86 MCL1 (0.55) MCL1BCL2BCL2L1BAD
SCHEMBL19635127 0.85 MCL1 (0.56) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL19635359 0.85 MCL1 (0.62) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL19635027 0.84 MCL1 (0.61) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL19634885 0.83 MCL1 (0.60) MCL1BCL2PMAIP1BCL2L1BAD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed