SCHEMBL24378085

SCHEMBL24378085

Cc1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCCOCc1c-3c(CN2CCOCC2)nn1C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 15/20 0.58
BAD Q92934 7/20 0.56
BCL2L1 Q07817 5/20 0.56
BCL2 P10415 4/20 0.55
ALB P02768 1/20 0.53
PMAIP1 Q13794 4/20 0.53

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
SCHEMBL24378276 0.95 MCL1 (0.57) MCL1BADBCL2L1BCL2ALB
SCHEMBL19615311 0.90 MCL1 (0.72) MCL1BADBCL2L1BCL2ALB
SCHEMBL19615070 0.89 MCL1 (0.69) MCL1BADBCL2L1BCL2ALB
SCHEMBL19635185 0.89 MCL1 (0.64) MCL1BADBCL2L1BCL2ALB
SCHEMBL19635134 0.89 MCL1 (0.60) MCL1BADBCL2L1BCL2ALB
SCHEMBL19615154 0.88 MCL1 (0.74) MCL1BADBCL2L1BCL2ALB
SCHEMBL19615229 0.87 MCL1 (0.73) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635628 0.87 MCL1 (0.62) MCL1BADBCL2L1BCL2ALB
SCHEMBL19635422 0.86 MCL1 (0.56) MCL1BADBCL2L1BCL2ALB
SCHEMBL19635419 0.86 MCL1 (0.57) MCL1BADBCL2L1BCL2ALB

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