SCHEMBL19636010

SCHEMBL19636010

CCc1n[nH]c2c1-c1cccc3c(CCCOc4cccc5cc(C(F)(F)F)ccc45)c(C(=O)O)n(c13)CCCCOC2

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 13/20 0.59
BAD Q92934 7/20 0.58
BCL2L1 Q07817 5/20 0.58
BCL2 P10415 4/20 0.58
PMAIP1 Q13794 1/20 0.49

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
SCHEMBL19635326 0.94 MCL1 (0.52) MCL1BADBCL2L1BCL2
SCHEMBL19636012 0.93 MCL1 (0.58) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635733 0.92 MCL1 (0.69) MCL1BADBCL2L1BCL2
SCHEMBL19635125 0.91 BAD (0.61) MCL1BADBCL2L1BCL2
SCHEMBL19635734 0.89 MCL1 (0.59) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19615147 0.88 MCL1 (0.74) MCL1BADBCL2L1BCL2
SCHEMBL19635598 0.88 MCL1 (0.50) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635787 0.87 MCL1 (0.63) MCL1BADBCL2L1BCL2
SCHEMBL19635082 0.86 MCL1 (0.58) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19615224 0.85 MCL1 (0.74) 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