SCHEMBL27708604

SCHEMBL27708604

Cc1ccccc1C(N)=O.O=C(O)C1CCCN(S(=O)(=O)c2ccccc2Cl)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.53
AKR1C1 Q04828 2/20 0.53
HSD11B1 P28845 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A1 P30531 1/20 0.48
PKLR P30613 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL27708560 0.93 HSD11B1 (0.60) AKR1C3AKR1C1HSD11B1KMT2ATSHR
SCHEMBL27708599 0.92 AKR1C3 (0.57) AKR1C3AKR1C1HSD11B1KMT2ATSHR
SCHEMBL28767285 0.87 AKR1C3 (0.59) AKR1C3AKR1C1ALDH1A1MAPT
SCHEMBL5243114 0.87 AKR1C3 (0.67) AKR1C3AKR1C1HSD11B1KMT2ATSHR
SCHEMBL5243117 0.87 AKR1C3 (0.67) AKR1C3AKR1C1HSD11B1KMT2ATSHR
SCHEMBL5244741 0.87 AKR1C3 (0.67) AKR1C3AKR1C1HSD11B1KMT2ATSHR
Benzamide SCHEMBL27708563 0.86 AKR1C3 (0.58) AKR1C3AKR1C1HSD11B1KMT2ATSHR
SCHEMBL1712959 0.86 AKR1C3 (0.65) AKR1C3AKR1C1HSD11B1KMT2ATSHR
SCHEMBL27708609 0.85 AKR1C3 (0.51) AKR1C3AKR1C1KMT2ATSHRL3MBTL1
SCHEMBL27708524 0.84 AKR1C3 (0.60) AKR1C3AKR1C1KMT2ATSHRALDH1A1

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
CN-101133026-B 1- sulfonyl-pi perdine- 3 -carboxyl i c acid amide derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase for the treatment of type ii diabetes mellitus HOFFMANN LA ROCHE 2011-07-06 CN claimed
CN-101133026-A 1- sulfonyl-pi perdine- 3 -carboxyl i c acid amide derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase for the treatment of type ii diabetes mellitus HOFFMANN LA ROCHE (CH) 2008-02-27 CN claimed
CN-101133026-B 1- sulfonyl-pi perdine- 3 -carboxyl i c acid amide derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase for the treatment of type ii diabetes mellitus HOFFMANN LA ROCHE 2011-07-06 CN disclosed
CN-101133026-A 1- sulfonyl-pi perdine- 3 -carboxyl i c acid amide derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase for the treatment of type ii diabetes mellitus HOFFMANN LA ROCHE (CH) 2008-02-27 CN disclosed