SCHEMBL8779811

SCHEMBL8779811

N#Cc1c(Cl)cccc1S(=O)(=O)Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.46
CCR4 P51679 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SGK1 O00141 4/20 0.39
MAPT P10636 1/20 0.38
AKR1C3 P42330 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.36
HSD11B1 P28845 1/20 0.35
CTSS P25774 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL2570257 0.83 SLC22A12 (0.47) SLC22A12CCR4KDM4EALDH1A1L3MBTL1
SCHEMBL11091075 0.81 SLC22A12 (0.46) SLC22A12CCR4KDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL28283375 0.80 SLC22A12 (0.45) SLC22A12CCR4KDM4EALDH1A1L3MBTL1
Dichlobenil SCHEMBL55606 0.75 ALDH1A1 (0.55) SLC22A12KDM4EALDH1A1L3MBTL1MAPT
Dichlobenil SCHEMBL1701380 0.75 ALDH1A1 (0.55) SLC22A12KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL14568177 0.74 ALDH1A1 (0.46) SLC22A12CCR4KDM4EALDH1A1L3MBTL1
SCHEMBL11086919 0.74 CCR4 (0.49) SLC22A12CCR4KDM4EALDH1A1L3MBTL1
SCHEMBL14568178 0.74 CCR4 (0.49) SLC22A12CCR4KDM4EALDH1A1SGK1
SCHEMBL7176672 0.73 HSD11B1 (0.46) ALDH1A1L3MBTL1GAAHSD11B1
Dichlobenil SCHEMBL10737856 0.73 ALDH1A1 (0.53) SLC22A12KDM4EALDH1A1L3MBTL1MAPT

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