SCHEMBL15313813

SCHEMBL15313813

O=C(Nc1cccc(S(=O)(=O)c2ccccc2)c1)c1ccc(O)c(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.58
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
BCL2 P10415 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
MAPK1 P28482 1/20 0.50
P2RX1 P51575 1/20 0.48
LMNA P02545 4/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL15313796 0.83 BCL2 (0.54) TERTMAPTSMN1; SMN2ALDH1A1BCL2
SCHEMBL9051568 0.81 MEN1 (0.65) TERTALDH1A1BCL2LMNAHPGD
SCHEMBL15313786 0.80 BCL2 (0.67) TERTMAPTSMN1; SMN2ALDH1A1BCL2
SCHEMBL15313839 0.77 CA12 (0.53) TERTMAPTSMN1; SMN2ALDH1A1BCL2
SCHEMBL15313840 0.76 FADS1 (0.49) TERTCA2MEN1KMT2A
SCHEMBL15313832 0.76 BCL2L1 (0.63) ALDH1A1BCL2P2RX1LMNACA12
SCHEMBL15313849 0.75 BCL2 (0.67) MAPTSMN1; SMN2ALDH1A1BCL2CRHBP
SCHEMBL845143 0.75 TERT (0.80) TERTSMN1; SMN2ALDH1A1P2RX1LMNA
SCHEMBL29405216 0.75 TERT (1.00) TERTSMN1; SMN2P2RX1LMNAHPGD
SCHEMBL17005794 0.75 TERT (1.00) TERTSMN1; SMN2P2RX1LMNAHPGD

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