SCHEMBL15313994

SCHEMBL15313994

CC(=O)Oc1c(C(=O)N2CCc3ccc(S(=O)(=O)NCCc4ccc([N+](=O)[O-])cc4)cc3C2)cc(S(=O)(=O)NCCCc2ccccc2)c(OC(C)=O)c1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.56
MCL1 Q07820 1/20 0.56
BAD Q92934 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38
DGAT1 O75907 1/20 0.37
MGAT3 Q09327 1/20 0.37
MGAT2 Q10469 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP19A1 P11511 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL15313991 0.89 BCL2 (0.51) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313993 0.86 BCL2 (0.70) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313962 0.77 BCL2 (0.78) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313760 0.73 BCL2 (0.79) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313996 0.73 BCL2 (0.77) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313749 0.72 BCL2 (1.00) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313757 0.72 BCL2 (0.69) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313992 0.72 BCL2 (1.00) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313973 0.71 BCL2 (0.85) BCL2MCL1BADSMN1; SMN2LMNA
SCHEMBL15313971 0.71 BCL2 (0.96) BCL2MCL1BADSMN1; SMN2LMNA

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