SCHEMBL19635084

SCHEMBL19635084

CN1CCCCn2c(C(=O)O)c(CCCOc3cccc4ccccc34)c3cccc(c32)C2=C(C1)N(C)NC2/C=C/F

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 0.55
PMAIP1 Q13794 10/20 0.55
BCL2L1 Q07817 5/20 0.55
BAD Q92934 3/20 0.55
BCL2 P10415 6/20 0.54

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
SCHEMBL24378102 0.83 MCL1 (0.59) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19635692 0.82 MCL1 (0.52) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19635087 0.80 MCL1 (0.63) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19635033 0.77 MCL1 (0.55) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19635687 0.76 MCL1 (0.63) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19615852 0.76 MCL1 (0.82) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL23251298 0.76 MCL1 (0.68) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19615073 0.75 MCL1 (0.67) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19615062 0.75 MCL1 (0.63) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19635737 0.75 MCL1 (0.82) MCL1PMAIP1BCL2L1BADBCL2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed