SCHEMBL19635211

SCHEMBL19635211

CCCc1n[nH]c2c1-c1c(C)ccc3c(CCCOc4cccc5ccccc45)c(C(=O)OCC)n(c13)CCCN(C)C2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 17/20 0.51
BAD Q92934 6/20 0.48
BCL2 P10415 5/20 0.48
PMAIP1 Q13794 7/20 0.46
BCL2L1 Q07817 6/20 0.46

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
SCHEMBL19635210 0.87 BAD (0.59) MCL1BADBCL2PMAIP1BCL2L1
SCHEMBL19634906 0.86 MCL1 (0.52) MCL1BADBCL2PMAIP1BCL2L1
SCHEMBL19635511 0.86 MCL1 (0.55) MCL1BADBCL2BCL2L1
SCHEMBL19635133 0.86 MCL1 (0.52) MCL1BADBCL2PMAIP1BCL2L1
SCHEMBL19635334 0.85 MCL1 (0.51) MCL1BADBCL2PMAIP1BCL2L1
SCHEMBL19635885 0.84 MCL1 (0.64) MCL1BADBCL2PMAIP1BCL2L1
SCHEMBL19635507 0.82 MCL1 (0.74) MCL1BADBCL2PMAIP1BCL2L1
SCHEMBL19635437 0.82 MCL1 (0.63) MCL1BADBCL2BCL2L1
SCHEMBL19615063 0.80 BAD (0.67) MCL1BADBCL2PMAIP1BCL2L1
SCHEMBL19635848 0.79 MCL1 (0.48) MCL1BADBCL2PMAIP1BCL2L1

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