SCHEMBL15313863

SCHEMBL15313863

COc1c(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)cc(-c2cccc3ccccc23)c(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.60
BCL2L1 Q07817 2/20 0.54
MCL1 Q07820 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
NR1H4 Q96RI1 1/20 0.42
NAMPT P43490 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 2/20 0.40
HTR6 P50406 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL15313864 0.85 BCL2L1 (0.65) BCL2BCL2L1MCL1SIRT5NAMPT
SCHEMBL15313869 0.81 BCL2L1 (0.61) BCL2BCL2L1MCL1SIRT5NAMPT
SCHEMBL15313843 0.77 BCL2L1 (0.83) BCL2BCL2L1MCL1SIRT5NAMPT
SCHEMBL15313859 0.76 BCL2 (0.64) BCL2BCL2L1MCL1SIRT5NAMPT
SCHEMBL15313803 0.75 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5NR1H4
SCHEMBL15313872 0.74 BCL2 (0.50) BCL2BCL2L1MCL1SIRT5MEN1
SCHEMBL15313854 0.73 BCL2L1 (0.64) BCL2BCL2L1MCL1SIRT5MEN1
SCHEMBL15313878 0.73 BCL2L1 (0.58) BCL2BCL2L1MCL1SIRT5MEN1
SCHEMBL15313865 0.72 BCL2L1 (0.67) BCL2BCL2L1MCL1SIRT5NAMPT
SCHEMBL15313868 0.71 BCL2L1 (0.61) BCL2BCL2L1MCL1SIRT5MEN1

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