SCHEMBL8779813

SCHEMBL8779813

O=S(=O)(Br)c1ccc(Sc2ccc(S(=O)(=O)Br)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.41
MMP13 P45452 4/20 0.40
MMP8 P22894 2/20 0.40
MMP3 P08254 1/20 0.40
ANXA2 P07355 1/20 0.38
S100A10 P60903 1/20 0.38
NR1H2 P55055 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
APEX1 P27695 1/20 0.37
DNMT1 P26358 1/20 0.37
CA2 P00918 6/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA7 P43166 3/20 0.36
CA13 Q8N1Q1 3/20 0.36
BCL2 P10415 2/20 0.36
MCL1 Q07820 2/20 0.36

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
SCHEMBL8779845 0.91 MMP13 (0.51) MMP13MMP8MMP3ANXA2S100A10
SCHEMBL8779885 0.83 CA2 (0.41) MMP13MMP8CYP3A4TSHRMAPK1
SCHEMBL2739640 0.75 ALDH1A1 (0.40) STSMMP13MMP8MMP3ANXA2
SCHEMBL8677277 0.75 DNMT1 (0.35) TSHRDNMT1CA2CA12CA1
SCHEMBL19975469 0.75 CA2 (0.52) KDM4ECA2CA12CA1LMNA
SCHEMBL8779793 0.74 ALDH1A1 (0.52) STSMMP13MMP8MMP3ANXA2
Potassium Ion SCHEMBL978255 0.74 STS (0.41) STSMMP13MMP8MMP3ANXA2
SCHEMBL979380 0.74 LMNA (0.56) STSMMP13MMP8MMP3ANXA2
SCHEMBL1415839 0.74 LMNA (0.43) STSMMP13MMP8MMP3ANXA2
SCHEMBL10396837 0.73 CA2 (0.48) MMP13MMP8ANXA2S100A10CYP3A4

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