SCHEMBL15313820

SCHEMBL15313820

O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc(Cc2ccccc2)c(O)c(O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 1.00
BCL2L1 Q07817 3/20 0.61
MCL1 Q07820 1/20 0.56
SIRT5 Q9NXA8 1/20 0.56
PRMT1 Q99873 3/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NAMPT P43490 5/20 0.46
DDIT3 P35638 1/20 0.45
CYP2C9 P11712 1/20 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
SCHEMBL15313847 0.87 BCL2 (1.00) BCL2BCL2L1KMT2AMEN1HPGD
SCHEMBL15313853 0.87 BCL2 (0.77) BCL2BCL2L1MCL1SIRT5PRMT1
SCHEMBL15313895 0.86 BCL2L1 (0.84) BCL2BCL2L1MCL1SIRT5PRMT1
SCHEMBL15313905 0.83 BCL2 (0.70) BCL2BCL2L1MCL1SIRT5PRMT1
SCHEMBL15313824 0.81 BCL2 (0.68) BCL2BCL2L1KMT2AMAPTNAMPT
SCHEMBL15313785 0.81 BCL2 (0.67) BCL2BCL2L1MCL1SIRT5KMT2A
SCHEMBL15313786 0.81 BCL2 (0.67) BCL2BCL2L1MCL1SIRT5PRMT1
SCHEMBL15313807 0.80 BCL2L1 (0.79) BCL2BCL2L1MCL1SIRT5KMT2A
SCHEMBL15313838 0.80 BCL2 (0.66) BCL2BCL2L1MCL1SIRT5KMT2A
SCHEMBL15313836 0.79 BCL2 (0.64) BCL2BCL2L1MCL1SIRT5KMT2A

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