SCHEMBL24378086

SCHEMBL24378086

Cc1nn(CC(F)(F)F)c2c1-c1cccc3c(CCCOc4cccc5c4CCCC5)c(C=O)n(c13)CCCCOC2

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.55
BCL2L1 Q07817 2/20 0.41
BAD Q92934 2/20 0.41
BCL2 P10415 2/20 0.39
PMAIP1 Q13794 1/20 0.37

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
SCHEMBL19635677 0.89 MCL1 (0.69) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL19636011 0.84 MCL1 (0.66) MCL1BCL2L1BADBCL2
SCHEMBL24594042 0.82 MCL1 (0.80) MCL1BCL2L1BADPMAIP1
SCHEMBL24594100 0.80 MCL1 (0.80) MCL1BCL2L1BADPMAIP1
SCHEMBL19635630 0.79 MCL1 (0.82) MCL1BCL2L1BADBCL2
SCHEMBL19635517 0.78 MCL1 (0.71) MCL1BCL2L1BADBCL2
SCHEMBL19615146 0.78 MCL1 (0.69) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL19634942 0.77 MCL1 (0.60) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL19615187 0.77 MCL1 (0.79) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL19635151 0.77 MCL1 (0.69) MCL1BCL2L1BADBCL2PMAIP1

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
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed