SCHEMBL8779786

SCHEMBL8779786

O=S(=O)(Br)c1ccccc1S(=O)(=O)Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
CA6 P23280 4/20 0.48
CA4 P22748 4/20 0.48
PLCG1 P19174 1/20 0.44
GAA P10253 1/20 0.43
CA9 Q16790 5/20 0.42
CA12 O43570 4/20 0.42
CA5A P35218 3/20 0.42
CA7 P43166 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
CYP2C9 P11712 2/20 0.42
CA14 Q9ULX7 2/20 0.42
HTR6 P50406 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ELANE P08246 1/20 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
SCHEMBL8686749 0.83 CA1 (0.65) CA1CA2CA6CA4PLCG1
SCHEMBL2233208 0.81 TSHR (0.43) CA1CA2CA6CA4GAA
SCHEMBL2893446 0.81 CA1 (0.39) CA1CA2CA6CA4PLCG1
SCHEMBL7176672 0.81 HSD11B1 (0.46) GAATSHRALDH1A1HSD17B10
SCHEMBL10449646 0.79 CDK2 (0.46) CA1CA2CA6CA4PLCG1
SCHEMBL6113594 0.77 CA1 (0.63) CA1CA2CA9CYP2C9HTR6
SCHEMBL8779849 0.75 ALDH1A1 (0.58) CA1CA2KMT2ATSHRALDH1A1
SCHEMBL10406114 0.75 HTR6 (0.60) CA1CA2CA4CA9CA12
SCHEMBL1004870 0.75 ALDH1A1 (0.41) CA1CA2CA6CA4PLCG1
SCHEMBL30026176 0.74 KMT2A (0.70) CA1CA2MEN1KMT2AALDH1A1

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-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed
US-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed