SCHEMBL19635034

SCHEMBL19635034

CC/C1=C(\NN)CN(c2ccc(N3CCOCC3)cc2)CCCn2c(C(=O)O)c(CCCOc3cccc4ccccc34)c3cccc1c32

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 17/20 0.54
BCL2 P10415 9/20 0.54
PMAIP1 Q13794 7/20 0.54
BCL2L1 Q07817 5/20 0.53
ALB P02768 1/20 0.53
BAD Q92934 5/20 0.51

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
SCHEMBL19615213 0.82 MCL1 (0.64) MCL1BCL2PMAIP1BCL2L1ALB
SCHEMBL19635035 0.82 MCL1 (0.57) MCL1BCL2PMAIP1BCL2L1ALB
SCHEMBL19635033 0.81 MCL1 (0.55) MCL1BCL2PMAIP1BCL2L1ALB
SCHEMBL19635837 0.77 MCL1 (0.61) MCL1BCL2PMAIP1BCL2L1ALB
SCHEMBL19635839 0.76 MCL1 (0.50) MCL1BCL2PMAIP1BCL2L1ALB
SCHEMBL19615080 0.76 MCL1 (0.59) MCL1BCL2PMAIP1BCL2L1ALB
SCHEMBL19635619 0.76 MCL1 (0.58) MCL1BCL2PMAIP1BCL2L1ALB
SCHEMBL19615202 0.76 MCL1 (0.64) MCL1BCL2PMAIP1BCL2L1ALB
SCHEMBL19635358 0.76 MCL1 (0.54) MCL1BCL2PMAIP1BCL2L1ALB
SCHEMBL19635987 0.75 MCL1 (0.56) MCL1BCL2PMAIP1BCL2L1BAD

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