SCHEMBL19635975

SCHEMBL19635975

CSc1ccc(OCc2nn(C)c3c2-c2cccc4c(CCCOc5cccc6ccccc56)c(C(=O)O)n(c24)C/C=C\COC3)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 17/20 0.69
BCL2L1 Q07817 4/20 0.51
BAD Q92934 4/20 0.51
PMAIP1 Q13794 2/20 0.48
ALB P02768 1/20 0.48
BCL2 P10415 2/20 0.48

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
SCHEMBL19615208 0.94 MCL1 (0.72) MCL1BCL2L1BADPMAIP1ALB
SCHEMBL19635079 0.93 MCL1 (0.62) MCL1BCL2L1BADPMAIP1ALB
SCHEMBL19615053 0.91 MCL1 (0.66) MCL1BCL2L1BADPMAIP1ALB
SCHEMBL19635673 0.90 MCL1 (0.67) MCL1BCL2L1BADPMAIP1ALB
SCHEMBL19615095 0.90 MCL1 (0.65) MCL1BCL2L1BADPMAIP1ALB
SCHEMBL19635030 0.90 MCL1 (0.68) MCL1BCL2L1BADPMAIP1BCL2
SCHEMBL19616021 0.89 MCL1 (0.73) MCL1BCL2L1BADPMAIP1ALB
SCHEMBL23251308 0.89 MCL1 (0.66) MCL1BCL2L1BADPMAIP1ALB
SCHEMBL21802193 0.89 MCL1 (0.74) MCL1BCL2L1BADPMAIP1ALB
SCHEMBL19615139 0.89 MCL1 (0.65) MCL1BCL2L1BADALBBCL2

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