SCHEMBL15313853

SCHEMBL15313853

O=C(Nc1ccc(S(=O)(=O)c2ccccn2)cc1)c1cc(Cc2ccccc2)c(O)c(O)c1O

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.77
BCL2L1 Q07817 2/20 0.54
NAMPT P43490 3/20 0.50
MCL1 Q07820 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46
DPP4 P27487 1/20 0.43
PRMT1 Q99873 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM4 Q14833 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL15313820 0.87 BCL2 (1.00) BCL2BCL2L1NAMPTMCL1SIRT5
SCHEMBL15313857 0.86 BCL2 (0.56) BCL2BCL2L1NAMPTMCL1SIRT5
SCHEMBL15313858 0.86 BCL2 (0.56) BCL2BCL2L1NAMPTMCL1SIRT5
SCHEMBL15313847 0.80 BCL2 (1.00) BCL2BCL2L1RAB9ASMN1; SMN2TP53
SCHEMBL15313895 0.79 BCL2L1 (0.84) BCL2BCL2L1NAMPTMCL1SIRT5
SCHEMBL15313905 0.76 BCL2 (0.70) BCL2BCL2L1MCL1SIRT5PRMT1
SCHEMBL15313824 0.74 BCL2 (0.68) BCL2BCL2L1NAMPT
SCHEMBL15313838 0.73 BCL2 (0.66) BCL2BCL2L1MCL1SIRT5SMN1; SMN2
SCHEMBL15313807 0.73 BCL2L1 (0.79) BCL2BCL2L1NAMPTMCL1SIRT5
SCHEMBL15313836 0.72 BCL2 (0.64) BCL2BCL2L1NAMPTMCL1SIRT5

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