SCHEMBL19635839

SCHEMBL19635839

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCN(c1ccc(N2CCOCC2)cc1)CC1=C3C(C)NN1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.50
PMAIP1 Q13794 6/20 0.45
ALB P02768 2/20 0.45
BCL2 P10415 6/20 0.44
BCL2L1 Q07817 4/20 0.44
BAD Q92934 3/20 0.43

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
SCHEMBL24378193 0.96 MCL1 (0.51) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL24378191 0.94 MCL1 (0.51) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL19635837 0.81 MCL1 (0.61) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL19635033 0.81 MCL1 (0.55) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL23251230 0.77 MCL1 (0.62) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL19634885 0.77 MCL1 (0.60) MCL1PMAIP1BCL2BCL2L1BAD
SCHEMBL19635121 0.77 MCL1 (0.49) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL24378057 0.76 MCL1 (0.51) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL19634904 0.76 MCL1 (0.56) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL19635034 0.76 MCL1 (0.54) MCL1PMAIP1ALBBCL2BCL2L1

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
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed