SCHEMBL7760554

SCHEMBL7760554

Cc1c(C#N)ccc2c1C(=O)N(C)S2(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.44
CA2 P00918 3/20 0.44
HSD11B1 P28845 1/20 0.33
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
CA12 O43570 2/20 0.32
GLA P06280 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL6275401 0.76 CA2 (0.43) CA9CA2HSD11B1ABCC9ABCC8
SCHEMBL12292092 0.71 CA12 (0.37) CA9CA2KDM4EALDH1A1CA12
SCHEMBL1585098 0.64 AR (0.52) KDM4EALDH1A1GAAAR
SCHEMBL2186551 0.61 TSHR (0.45) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL107126 0.61 CA9 (1.00) CA9CA2HSD11B1ALDH1A1CA12
SCHEMBL2616815 0.61 CA9 (0.59) CA9CA2ABCC9ABCC8KCNJ11
SCHEMBL13534170 0.60 CA9 (0.58) CA9CA2HSD11B1ABCC9ABCC8
SCHEMBL24197984 0.60 LMNA (0.47) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL26259780 0.58 TSHR (0.44) KDM4EALDH1A1GAAAR
SCHEMBL23900598 0.58 KDM4E (0.53) KDM4EALDH1A1GAAGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945449-B1 Process for the preparation of saccharincarboxylic acid halides BASF AG (DE) 2001-05-23 EP disclosed
US-5981758-A Preparation of saccharincarbonyl halides BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
EP-0945449-A1 Process for the preparation of saccharincarboxylic acid halides BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed