SCHEMBL19635986

SCHEMBL19635986

COCc1n[nH]c2c1-c1cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)n(c13)CCCNC2

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.56
PMAIP1 Q13794 10/20 0.55
BCL2 P10415 6/20 0.54
BCL2L1 Q07817 6/20 0.54
BAD Q92934 4/20 0.54

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
SCHEMBL19635336 0.93 MCL1 (0.48) MCL1PMAIP1BCL2BCL2L1BAD
SCHEMBL19635985 0.89 MCL1 (0.60) MCL1PMAIP1BCL2BCL2L1BAD
SCHEMBL19636006 0.89 MCL1 (0.60) MCL1PMAIP1BCL2BCL2L1BAD
SCHEMBL19635621 0.87 MCL1 (0.52) MCL1PMAIP1BCL2BCL2L1BAD
SCHEMBL24378231 0.83 MCL1 (0.51) MCL1PMAIP1BCL2BCL2L1BAD
SCHEMBL19635817 0.83 MCL1 (0.66) MCL1PMAIP1BCL2BCL2L1BAD
SCHEMBL19615244 0.83 MCL1 (0.64) MCL1PMAIP1BCL2BCL2L1BAD
SCHEMBL19635346 0.82 MCL1 (0.59) MCL1PMAIP1BCL2BCL2L1BAD
SCHEMBL19635334 0.82 MCL1 (0.51) MCL1PMAIP1BCL2BCL2L1BAD
SCHEMBL19635436 0.82 MCL1 (0.59) MCL1PMAIP1BCL2BCL2L1BAD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed