SCHEMBL11560892

SCHEMBL11560892

Cc1cc(C)c(S(=O)(=O)NSCCCCN)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
FABP4 P15090 1/20 0.40
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NR2F2 P24468 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 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
SCHEMBL7517048 0.73 FABP4 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL7511654 0.72 FABP4 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL17101162 0.70 L3MBTL1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL11560895 0.70 FABP4 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL11435219 0.70 L3MBTL1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL7511658 0.70 FABP4 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL11495820 0.69 FABP4 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL4258883 0.69 FABP4 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL422151 0.67 CA1 (0.63) CA1CA2MMP1MMP2MMP9
SCHEMBL7517054 0.67 F2 (0.41) CA1CA2MMP1MMP2MMP9

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-0000826-A1 Diorthosubstituted benzene derivatives, especially for use in a method of therapy, processes for their preparation, and pharmaceutical compositions containing them Kabi AB (SE) 1979-02-21 EP disclosed