SCHEMBL19635729

SCHEMBL19635729

CCC1NN(C)C2=C1c1cccc3c(CCCOc4cccc5cc(F)ccc45)c(C(=O)O)n(c13)CCCCOC2

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BAD Q92934 12/20 0.61
BCL2L1 Q07817 9/20 0.61
BCL2 P10415 9/20 0.61
MCL1 Q07820 8/20 0.60

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
SCHEMBL19635763 0.86 BAD (0.56) BADBCL2L1BCL2MCL1
SCHEMBL19635149 0.85 MCL1 (0.53) BADBCL2L1BCL2MCL1
SCHEMBL19635539 0.84 BCL2L1 (0.54) BADBCL2L1BCL2MCL1
SCHEMBL19615122 0.81 MCL1 (0.86) BADBCL2L1BCL2MCL1
SCHEMBL19635627 0.81 MCL1 (0.61) BADBCL2L1BCL2MCL1
SCHEMBL19635735 0.81 BCL2L1 (0.54) BADBCL2L1BCL2MCL1
SCHEMBL19635733 0.81 MCL1 (0.69) BADBCL2L1BCL2MCL1
SCHEMBL19615302 0.81 MCL1 (0.85) BADBCL2L1BCL2MCL1
SCHEMBL19635532 0.81 MCL1 (0.69) BADBCL2L1BCL2MCL1
SCHEMBL19615206 0.80 MCL1 (0.86) BADBCL2L1BCL2MCL1

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