SCHEMBL19635049

SCHEMBL19635049

Cc1c2c(nn1CCO)COCCCCn1c(C(=O)O)c(CCCOc3cccc4ccccc34)c3cccc-2c31

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 14/20 0.71
BAD Q92934 7/20 0.69
BCL2L1 Q07817 6/20 0.69
BCL2 P10415 4/20 0.69
PMAIP1 Q13794 4/20 0.62

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
SCHEMBL19615136 0.94 MCL1 (0.71) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19615159 0.93 MCL1 (0.70) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635778 0.92 MCL1 (0.71) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635386 0.92 MCL1 (0.61) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19615108 0.92 MCL1 (0.83) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19615143 0.91 MCL1 (0.81) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19615176 0.90 MCL1 (0.70) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19615167 0.90 MCL1 (0.83) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635476 0.89 MCL1 (0.74) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19615055 0.88 MCL1 (0.69) MCL1BADBCL2L1BCL2PMAIP1

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