SCHEMBL11685474

SCHEMBL11685474

COc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)O)cc2OC)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 1/20 0.52
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
LMNA P02545 4/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 3/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL11682942 0.91 MAPT (0.52) MAPTKEAP1NFE2L2CA1CA2
SCHEMBL14988893 0.85 MAPT (0.54) MAPTCA1CA2MMP1MMP2
SCHEMBL30556228 0.85 MAPT (0.54) MAPTCA1CA2MMP1MMP2
SCHEMBL155420 0.85 MAPT (0.54) MAPTCA1CA2MMP1MMP2
SCHEMBL11682721 0.85 MAPT (0.76) MAPTCA1CA2MMP1MMP2
SCHEMBL14988889 0.84 MAPT (0.52) MAPTCA1CA2MMP1MMP2
SCHEMBL11684031 0.83 MAPT (0.62) MAPTCA1CA2LMNAALDH1A1
SCHEMBL11682532 0.78 ACLY (0.47) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL11686358 0.77 FFAR4 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL11685580 0.77 LMNA (0.54) LMNAALDH1A1MEN1KMT2ATP53

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
US-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 US disclosed