SCHEMBL15313786

SCHEMBL15313786

O=C(Nc1cccc(S(=O)(=O)c2ccccc2)c1)c1cc(CCc2ccccc2)c(O)c(O)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.67
ALDH1A1 P00352 3/20 0.50
ADRB2 P07550 1/20 0.50
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
BCL2L1 Q07817 2/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MCL1 Q07820 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
PRMT1 Q99873 1/20 0.41
KMT2A Q03164 1/20 0.41
TERT O14746 1/20 0.41

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
SCHEMBL15313787 0.90 BCL2 (0.56) BCL2ALDH1A1ADRB2MAPTMAPK1
SCHEMBL15313796 0.85 BCL2 (0.54) BCL2ALDH1A1ADRB2MAPTMAPK1
SCHEMBL15313820 0.81 BCL2 (1.00) BCL2ALDH1A1MAPTMAPK1BCL2L1
SCHEMBL15313790 0.80 BCL2 (0.58) BCL2ALDH1A1ADRB2MAPTSMN1; SMN2
SCHEMBL15313813 0.80 TERT (0.58) BCL2ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL15313849 0.79 BCL2 (0.67) BCL2ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL15313783 0.79 BCL2 (0.59) BCL2ALDH1A1MAPTSMN1; SMN2CRHBP
SCHEMBL15313792 0.78 BCL2 (0.58) BCL2ALDH1A1ADRB2MAPK1SMN1; SMN2
SCHEMBL15313788 0.76 BCL2 (0.62) BCL2ALDH1A1ADRB2MAPK1SMN1; SMN2
SCHEMBL14372408 0.76 ALDH1A1 (0.67) ALDH1A1ADRB2MAPTSMN1; SMN2CA12

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