SCHEMBL15313859

SCHEMBL15313859

COc1c(Cc2cccc3ccccc23)cc(C(=O)Nc2ccc(S(=O)(=O)c3cccc4ccccc34)cc2)c(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.64
BCL2L1 Q07817 2/20 0.51
MCL1 Q07820 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
HTR6 P50406 1/20 0.46
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 2/20 0.41
MMP2 P08253 2/20 0.39
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39

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
SCHEMBL15313860 0.85 BCL2L1 (0.67) BCL2BCL2L1MCL1SIRT5HTR6
SCHEMBL15313862 0.81 BCL2 (0.48) BCL2KDM4ELMNAHTTMAPT
SCHEMBL15313843 0.78 BCL2L1 (0.83) BCL2BCL2L1MCL1SIRT5HTR6
SCHEMBL15313803 0.78 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5LMNA
SCHEMBL15313863 0.76 BCL2 (0.60) BCL2BCL2L1MCL1SIRT5HTR6
SCHEMBL15313861 0.74 BCL2 (0.63) BCL2BCL2L1MCL1SIRT5LMNA
SCHEMBL15313857 0.72 BCL2 (0.56) BCL2BCL2L1MCL1SIRT5LMNA
SCHEMBL15313846 0.67 BCL2 (0.57) BCL2BCL2L1MCL1SIRT5KDM4E
SCHEMBL15313848 0.64 BCL2L1 (0.56) BCL2BCL2L1MCL1SIRT5LMNA
SCHEMBL687266 0.64 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5LMNA

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
US-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed
US-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed