SCHEMBL15313993

SCHEMBL15313993

O=C(c1cc(S(=O)(=O)NCCCc2ccccc2)c(O)c(O)c1O)N1CCc2ccc(S(=O)(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2C1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.70
MCL1 Q07820 1/20 0.70
BAD Q92934 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
GRIN2B Q13224 1/20 0.38
GAA P10253 1/20 0.38
DGAT1 O75907 1/20 0.38
MGAT3 Q09327 1/20 0.38
MGAT2 Q10469 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL15313962 0.91 BCL2 (0.78) BCL2MCL1BADSMN1; SMN2HPGD
SCHEMBL15313996 0.87 BCL2 (0.77) BCL2MCL1BADSMN1; SMN2HPGD
SCHEMBL15313994 0.86 BCL2 (0.56) BCL2MCL1BADSMN1; SMN2HPGD
SCHEMBL15313760 0.85 BCL2 (0.79) BCL2MCL1BADSMN1; SMN2HPGD
SCHEMBL15313970 0.85 BCL2 (0.75) BCL2MCL1BADSMN1; SMN2HPGD
SCHEMBL15313757 0.84 BCL2 (0.69) BCL2MCL1BADSMN1; SMN2HPGD
SCHEMBL15313749 0.82 BCL2 (1.00) BCL2MCL1BADSMN1; SMN2HPGD
SCHEMBL15313742 0.82 BCL2 (0.73) BCL2MCL1BADSMN1; SMN2HPGD
SCHEMBL15313973 0.82 BCL2 (0.85) BCL2MCL1BADSMN1; SMN2HPGD
SCHEMBL15313971 0.82 BCL2 (0.96) BCL2MCL1BADSMN1; SMN2HPGD

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