SCHEMBL15313796

SCHEMBL15313796

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.54
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.50
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TERT O14746 1/20 0.48
ADRB2 P07550 1/20 0.45
KMT2A Q03164 2/20 0.44
ALOX15 P16050 3/20 0.44
HTR6 P50406 1/20 0.44
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
SELE P16581 1/20 0.44
MEN1 O00255 1/20 0.42

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
SCHEMBL15313786 0.85 BCL2 (0.67) BCL2MAPTMAPK1CA12CA1
SCHEMBL15313813 0.83 TERT (0.58) BCL2MAPTMAPK1CA12CA1
SCHEMBL15313800 0.79 BCL2L1 (0.60) BCL2MAPTALDH1A1CRHBPCRHR2
SCHEMBL15313787 0.77 BCL2 (0.56) BCL2MAPTMAPK1CA1CA2
SCHEMBL14372408 0.74 ALDH1A1 (0.67) MAPTCA12CA1CA2CA9
SCHEMBL15313820 0.70 BCL2 (1.00) BCL2MAPTMAPK1ALDH1A1KMT2A
SCHEMBL15313849 0.70 BCL2 (0.67) BCL2MAPTMAPK1CA12CA1
SCHEMBL12190093 0.69 PRMT1 (0.56) MAPTMAPK1CA12CA1CA2
SCHEMBL11642995 0.69 LMNA (0.56) BCL2MAPTMAPK1ALDH1A1CRHBP
SCHEMBL8663942 0.68 MEN1 (0.61) MAPTCA12CA1CA2CA9

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