SCHEMBL24378065

SCHEMBL24378065

Cc1c2c(nn1C)COCCCCn1c(C=O)c(CCCOc3cccc4cc(F)ccc34)c3cccc-2c31

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 12/20 0.68
BAD Q92934 8/20 0.59
BCL2L1 Q07817 7/20 0.59
BCL2 P10415 5/20 0.55
PMAIP1 Q13794 2/20 0.50

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
SCHEMBL19635744 0.94 MCL1 (0.60) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19615122 0.88 MCL1 (0.86) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635592 0.88 MCL1 (0.69) MCL1BADBCL2L1BCL2
SCHEMBL19635950 0.87 MCL1 (0.75) MCL1BADBCL2L1BCL2
SCHEMBL19615183 0.83 MCL1 (0.77) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635951 0.82 MCL1 (0.47) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19615206 0.82 MCL1 (0.86) MCL1BADBCL2L1BCL2
SCHEMBL24594048 0.82 MCL1 (0.62) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635585 0.81 MCL1 (0.72) MCL1BADBCL2L1BCL2
SCHEMBL24594061 0.81 MCL1 (0.80) 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
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed