SCHEMBL7184559

SCHEMBL7184559

O=Cc1ccccc1S(=O)(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.52
CA2 P00918 8/20 0.52
MMP1 P03956 8/20 0.52
MMP2 P08253 8/20 0.52
MMP9 P14780 8/20 0.52
MMP8 P22894 8/20 0.52
MMP13 P45452 8/20 0.52
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 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
SCHEMBL7543609 0.80 LMNA (0.46) CA1CA2MEN1LMNATHRB
SCHEMBL2798389 0.80 LMNA (0.46) MEN1LMNATHRBBLMKMT2A
SCHEMBL2801005 0.77 NSD2 (0.47) MEN1LMNATHRBBLMKMT2A
SCHEMBL29563815 0.77 TDP1 (0.52) MEN1LMNATHRBBLMKMT2A
SCHEMBL40458 0.77 TDP1 (0.52) MEN1LMNATHRBBLMKMT2A
SCHEMBL11738038 0.76 MEN1 (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL8993438 0.76 CA12 (0.44) MEN1LMNATHRBBLMKMT2A
SCHEMBL2986619 0.75 TDP1 (0.50) MEN1LMNATHRBBLMKMT2A
SCHEMBL1302666 0.75 TDP1 (0.50) MEN1LMNATHRBBLMKMT2A
SCHEMBL549939 0.75 TDP1 (0.50) MEN1LMNATHRBBLMKMT2A

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
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed