SCHEMBL15313839

SCHEMBL15313839

CC(C)c1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(O)c(O)c2O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
SLC10A2 Q12908 1/20 0.49
SLC10A1 Q14973 1/20 0.49
SLC10A6 Q3KNW5 1/20 0.49
BCL2 P10415 1/20 0.46
TERT O14746 1/20 0.46
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45

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
SCHEMBL15313835 0.89 CA12 (0.51) CA12CA1CA2CA9MEN1
SCHEMBL15313840 0.83 FADS1 (0.49) CA2MEN1KMT2ATERT
SCHEMBL15313813 0.77 TERT (0.58) CA12CA1CA2CA9MEN1
SCHEMBL15313834 0.75 ALOX12 (0.54) CA2KMT2A
SCHEMBL15313842 0.75 BCL2 (0.68) CA12CA1CA2CA9MEN1
SCHEMBL15313911 0.74 BCL2 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL15313838 0.74 BCL2 (0.66) CA12CA1CA2CA9MEN1
SCHEMBL15313846 0.72 BCL2 (0.57) MEN1KMT2ABCL2LMNAMAPT
SCHEMBL15313830 0.71 GPR27 (0.61) MEN1KMT2AMAPTMAPK1
SCHEMBL15313850 0.71 BCL2 (0.56) CA12CA1CA2CA9MEN1

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