SCHEMBL29068356

SCHEMBL29068356

CS(=O)(=O)CS(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.44
ATM Q13315 1/20 0.43
MMP2 P08253 2/20 0.42
HSD17B2 P37059 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EDNRB P24530 2/20 0.39
EDNRA P25101 2/20 0.39
PGR P06401 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
KAT6A Q92794 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL4251866 0.88 PLCG1 (0.56) PLCG1ATMMMP2HSD17B2L3MBTL1
SCHEMBL99072 0.82 PSIP1 (0.56) ATMMMP2HSD17B2EDNRBEDNRA
SCHEMBL265696 0.78 PTGS2 (0.46) ATMMMP2HSD17B2EDNRBEDNRA
SCHEMBL29595880 0.78 PTGS2 (0.46) ATMMMP2HSD17B2EDNRBEDNRA
SCHEMBL263686 0.78 ATM (0.46) ATMMMP2HSD17B2L3MBTL1EDNRB
SCHEMBL6726327 0.77 ATM (0.45) ATMMMP2HSD17B2L3MBTL1EDNRB
SCHEMBL17364184 0.77 ATM (0.45) ATMMMP2HSD17B2L3MBTL1PGR
SCHEMBL3600024 0.77 ATM (0.49) PLCG1ATMMMP2HSD17B2L3MBTL1
SCHEMBL6544145 0.76 PSIP1 (0.62) PLCG1ALDH1A1
SCHEMBL1710715 0.75 ATM (0.41) ATMMMP2HSD17B2L3MBTL1EDNRB

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
CN-111936503-B Oxazine monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2023-09-12 CN disclosed