SCHEMBL19635607

SCHEMBL19635607

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCCOCc1[nH]nc(CCN2CCOCC2)c1-3

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BAD Q92934 5/20 0.57
BCL2 P10415 3/20 0.57
MCL1 Q07820 16/20 0.53
PMAIP1 Q13794 6/20 0.53
ALB P02768 2/20 0.52
BCL2L1 Q07817 3/20 0.51

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
SCHEMBL19635457 0.92 MCL1 (0.53) BADBCL2MCL1PMAIP1BCL2L1
SCHEMBL19635180 0.92 MCL1 (0.52) BADBCL2MCL1PMAIP1BCL2L1
SCHEMBL19635606 0.90 MCL1 (0.63) BADBCL2MCL1PMAIP1ALB
SCHEMBL19635000 0.90 MCL1 (0.53) BADBCL2MCL1PMAIP1BCL2L1
SCHEMBL19635823 0.89 MCL1 (0.53) BADBCL2MCL1PMAIP1BCL2L1
SCHEMBL19634990 0.87 BAD (0.74) BADBCL2MCL1PMAIP1ALB
SCHEMBL19635185 0.87 MCL1 (0.64) BADBCL2MCL1PMAIP1ALB
SCHEMBL19634934 0.86 BAD (0.62) BADBCL2MCL1PMAIP1ALB
SCHEMBL19635557 0.86 BAD (0.66) BADBCL2MCL1PMAIP1ALB
SCHEMBL19635086 0.86 MCL1 (0.49) BADBCL2MCL1PMAIP1ALB

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