SCHEMBL29434864

SCHEMBL29434864

Cc1c(Cl)cccc1S(=O)(=O)Nc1c(F)cc(C#Cc2cncc(F)c2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.45
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
CCR4 P51679 1/20 0.41
SLC40A1 Q9NP59 2/20 0.41
MAP3K20 Q9NYL2 2/20 0.38
PTGES2 Q9H7Z7 2/20 0.36
BRAF P15056 1/20 0.36
CCR2 P41597 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL22980440 1.00 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR4SLC40A1
SCHEMBL23010759 0.92 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR4SLC40A1
SCHEMBL29434807 0.92 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR4SLC40A1
SCHEMBL22980320 0.92 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR4SLC40A1
SCHEMBL29434862 0.92 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR4SLC40A1
SCHEMBL29434888 0.91 SLC40A1 (0.44) EDNRASLC40A1PTGES2BRAF
SCHEMBL22980265 0.91 SLC40A1 (0.44) EDNRASLC40A1PTGES2BRAF
SCHEMBL22980356 0.90 PTGES2 (0.47) CCR4MAP3K20PTGES2
SCHEMBL29434812 0.90 PTGES2 (0.47) CCR4MAP3K20PTGES2
SCHEMBL22980302 0.90 MAP3K20 (0.44) EDNRBEDNRACCR4MAP3K20PTGES2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013495-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. Hoffmann-La Roche AG (CH) 2022-06-22 EP claimed
CN-114174266-A Arylsulfonamide derivatives as MGLUR4 negative allosteric modulators 豪夫迈·罗氏有限公司 2022-03-11 CN claimed
EP-4013495-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. Hoffmann-La Roche AG (CH) 2022-06-22 EP disclosed
CN-114174266-A Arylsulfonamide derivatives as MGLUR4 negative allosteric modulators 豪夫迈·罗氏有限公司 2022-03-11 CN disclosed