SCHEMBL19635600

SCHEMBL19635600

CSN1CCN(c2ccc(OCc3nn(C)c4c3-c3cccc5c(CCCOc6cccc7ccccc67)c(C(=O)O)n(c35)CCCN(C)C4)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.56
PMAIP1 Q13794 7/20 0.55
BAD Q92934 3/20 0.55
BCL2L1 Q07817 2/20 0.55
BCL2 P10415 2/20 0.52

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
SCHEMBL19635067 0.94 MCL1 (0.53) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19615080 0.92 MCL1 (0.59) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19615059 0.91 MCL1 (0.62) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19615100 0.91 MCL1 (0.63) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19635612 0.90 MCL1 (0.58) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19635339 0.90 MCL1 (0.66) MCL1BADBCL2L1BCL2
SCHEMBL19615322 0.90 MCL1 (0.63) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19615360 0.88 MCL1 (0.56) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19615130 0.87 MCL1 (0.58) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19615096 0.86 MCL1 (0.64) MCL1PMAIP1BADBCL2L1BCL2

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