SCHEMBL19635698

SCHEMBL19635698

CCc1[nH]nc2c1-c1c(C)ccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)n(c13)CCCCOC2

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 13/20 0.67
BAD Q92934 7/20 0.67
BCL2L1 Q07817 6/20 0.67
BCL2 P10415 4/20 0.67

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
SCHEMBL24594057 0.93 MCL1 (0.77) MCL1BADBCL2L1BCL2
SCHEMBL19635678 0.92 MCL1 (0.64) MCL1BADBCL2L1BCL2
SCHEMBL19635720 0.87 MCL1 (0.68) MCL1BADBCL2L1BCL2
SCHEMBL19635437 0.86 MCL1 (0.63) MCL1BADBCL2L1BCL2
SCHEMBL19635872 0.86 MCL1 (0.58) MCL1BADBCL2L1BCL2
SCHEMBL19615514 0.86 MCL1 (0.88) MCL1BADBCL2L1BCL2
SCHEMBL24594068 0.86 MCL1 (0.78) MCL1BADBCL2L1BCL2
SCHEMBL23786317 0.86 BAD (0.75) MCL1BADBCL2L1BCL2
SCHEMBL19615227 0.85 MCL1 (0.87) MCL1BADBCL2L1BCL2
SCHEMBL19635417 0.85 MCL1 (0.65) MCL1BADBCL2L1BCL2

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