SCHEMBL19634992

SCHEMBL19634992

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1C/C=C\COCc1nn(C)c(O)c1-3

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 13/20 0.64
BAD Q92934 8/20 0.51
BCL2L1 Q07817 7/20 0.51
BCL2 P10415 5/20 0.51
PMAIP1 Q13794 4/20 0.49
ALB P02768 1/20 0.47

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
SCHEMBL19635383 0.94 MCL1 (0.71) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635482 0.93 MCL1 (0.72) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19634994 0.92 MCL1 (0.63) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635908 0.91 MCL1 (0.65) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19634947 0.91 MCL1 (0.65) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19634941 0.90 MCL1 (0.61) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635562 0.90 MCL1 (0.62) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19634935 0.89 MCL1 (0.61) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635593 0.88 MCL1 (0.62) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19634863 0.88 MCL1 (0.71) MCL1BADBCL2L1PMAIP1ALB

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