SCHEMBL15313899

SCHEMBL15313899

O=C(Nc1ccc2c(c1)S(=O)(=O)c1ccccc1-2)c1cc(Cc2ccccc2)c(O)c(O)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.67
MAOA P21397 3/20 0.47
BCL2L1 Q07817 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
CHEK1 O14757 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PTPN1 P18031 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN6 P29350 1/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39

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
SCHEMBL15313887 0.84 BCL2 (0.56) BCL2MAOABCL2L1SMN1; SMN2ALDH1A1
SCHEMBL15313847 0.81 BCL2 (1.00) BCL2BCL2L1SMN1; SMN2ALDH1A1LMNA
SCHEMBL15313875 0.76 MAOA (0.47) MAOASMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL15313898 0.75 MAOA (0.46) MAOASMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL15313820 0.75 BCL2 (1.00) BCL2BCL2L1ALDH1A1LMNAKMT2A
SCHEMBL15313885 0.73 MAOA (0.44) MAOASMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL4869345 0.71 CA12 (0.68) MAOASMN1; SMN2KMT2ATP53MAPT
SCHEMBL3157891 0.70 GPR3 (0.53) BCL2MAOABCL2L1KMT2ACHEK1
SCHEMBL28707306 0.70 PTPN1 (0.73) BCL2BCL2L1PTPN1PTPN2PTPN6
SCHEMBL15313853 0.69 BCL2 (0.77) BCL2BCL2L1SMN1; SMN2TP53ABCC9

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