SCHEMBL10248987

SCHEMBL10248987

Nc1cc(Cl)cc(S(=O)(=O)NCc2cccc(CN(Cc3ccc(-c4ccccc4)cc3)S(=O)(=O)c3cc(Cl)cc(Cl)c3O)c2)c1O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACLY P53396 17/20 0.68
BCL2 P10415 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL184807 0.95 ACLY (0.74) ACLYBCL2MMP1MMP2MMP9
SCHEMBL252751 0.90 ACLY (0.71) ACLYBCL2MMP1MMP2MMP9
SCHEMBL10248380 0.90 ACLY (0.66) ACLYBCL2MMP1MMP2MMP9
SCHEMBL184772 0.89 ACLY (0.70) ACLYBCL2MMP1MMP2MMP9
SCHEMBL185110 0.86 ACLY (0.64) ACLYBCL2MMP1MMP2MMP9
SCHEMBL15157462 0.86 ACLY (0.64) ACLYBCL2MMP1MMP2MMP9
SCHEMBL183817 0.86 ACLY (0.66) ACLYBCL2MMP1MMP2MMP9
SCHEMBL184516 0.85 ACLY (0.65) ACLYBCL2MMP1MMP2MMP9
SCHEMBL184201 0.85 ACLY (0.65) ACLYBCL2MMP1MMP2MMP9
SCHEMBL252052 0.85 ACLY (0.60) ACLYBCL2MMP1MMP2MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297103-B1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-01-04 EP disclosed