SCHEMBL8779850

SCHEMBL8779850

O=S(=O)(Br)c1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.70
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 3/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 2/20 0.44
HSD11B1 P28845 1/20 0.44
LOX P28300 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL296383 0.89 HTR6 (0.58) HTR6ALDH1A1SMN1; SMN2TSHRPKM
SCHEMBL5051390 0.87 HTR6 (0.93) HTR6ALDH1A1SMN1; SMN2POLBMAPT
(Phenylsulfonyl)Benzene SCHEMBL28119187 0.84 HTR6 (1.00) HTR6ALDH1A1SMN1; SMN2POLBMAPT
(Phenylsulfonyl)Benzene SCHEMBL29473549 0.84 HTR6 (1.00) HTR6ALDH1A1SMN1; SMN2POLBMAPT
(Phenylsulfonyl)Benzene SCHEMBL30255 0.84 HTR6 (1.00) HTR6ALDH1A1SMN1; SMN2POLBMAPT
(Phenylsulfonyl)Benzene SCHEMBL29775288 0.84 HTR6 (1.00) HTR6ALDH1A1SMN1; SMN2POLBMAPT
(Phenylsulfonyl)Benzene SCHEMBL13735236 0.84 HTR6 (1.00) HTR6ALDH1A1SMN1; SMN2POLBMAPT
(Phenylsulfonyl)Benzene SCHEMBL29450723 0.84 HTR6 (1.00) HTR6ALDH1A1SMN1; SMN2POLBMAPT
(Phenylsulfonyl)Benzene SCHEMBL25435825 0.81 HTR6 (0.93) HTR6ALDH1A1SMN1; SMN2POLBMAPT
(Phenylsulfonyl)Benzene SCHEMBL9797473 0.81 HTR6 (0.93) HTR6ALDH1A1SMN1; SMN2POLBMAPT

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