SCHEMBL8779845

SCHEMBL8779845

O=S(=O)(Br)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.51
MMP8 P22894 4/20 0.51
MMP3 P08254 2/20 0.51
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
MMP2 P08253 2/20 0.42
MMP1 P03956 1/20 0.42
ANXA2 P07355 1/20 0.42
S100A10 P60903 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 2/20 0.41
CA13 Q8N1Q1 2/20 0.41
CA9 Q16790 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL8779813 0.91 STS (0.41) MMP13MMP8MMP3BCL2MCL1
SCHEMBL10608105 0.82 HTR6 (0.59) MMP13MMP8MMP3BCL2MCL1
SCHEMBL10608103 0.82 HTR6 (0.59) MMP13MMP8MMP3BCL2MCL1
SCHEMBL10948877 0.82 HTR6 (0.59) MMP13MMP8MMP3BCL2MCL1
SCHEMBL1890274 0.80 MMP13 (0.53) MMP13MMP8MMP3BCL2MCL1
SCHEMBL9625568 0.80 HTR6 (0.64) MMP13MMP8MMP3BCL2MCL1
SCHEMBL11337395 0.78 MMP13 (0.51) MMP13MMP8MMP3BCL2MCL1
SCHEMBL1890277 0.78 TSHR (0.62) MMP13MMP8MMP3BCL2MCL1
Potassium Ion SCHEMBL11617203 0.78 MMP13 (0.51) MMP13MMP8MMP3BCL2MCL1
SCHEMBL6503207 0.78 ALDH1A1 (0.62) MMP13MMP8MMP3BCL2MCL1

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-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed