SCHEMBL19635604

SCHEMBL19635604

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCOCCOc1ccc(C)c-3c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.56
ALB P02768 2/20 0.56
BCL2 P10415 8/20 0.53
BCL2L1 Q07817 6/20 0.53
PMAIP1 Q13794 5/20 0.46
BAD Q92934 4/20 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
SCHEMBL29602033 1.00 MCL1 (0.56) MCL1ALBBCL2BCL2L1PMAIP1
SCHEMBL29602103 0.92 MCL1 (0.65) MCL1ALBBCL2BCL2L1PMAIP1
SCHEMBL19615109 0.92 MCL1 (0.65) MCL1ALBBCL2BCL2L1PMAIP1
SCHEMBL23251273 0.91 MCL1 (0.51) MCL1ALBBCL2BCL2L1PMAIP1
SCHEMBL29602296 0.86 MCL1 (0.50) MCL1ALBBCL2BCL2L1PMAIP1
SCHEMBL19635474 0.86 MCL1 (0.50) MCL1ALBBCL2BCL2L1PMAIP1
SCHEMBL29602000 0.78 MCL1 (0.48) MCL1ALBBCL2BCL2L1PMAIP1
SCHEMBL19615275 0.77 MCL1 (0.60) MCL1ALBBCL2BCL2L1PMAIP1
SCHEMBL29602219 0.77 MCL1 (0.60) MCL1ALBBCL2BCL2L1PMAIP1
SCHEMBL19635137 0.77 MCL1 (0.48) MCL1ALBBCL2BCL2L1PMAIP1

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