SCHEMBL6941549

SCHEMBL6941549

O=C(O)C1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
RORC P51449 5/20 0.37
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.34
BDKRB2 P30411 1/20 0.34
BDKRB1 P46663 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
MMP9 P14780 1/20 0.32
ATM Q13315 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL6941551 1.00 TSHR (0.37) TSHRRORCALDH1A1MEN1KMT2A
SCHEMBL6941547 1.00 TSHR (0.37) TSHRRORCALDH1A1MEN1KMT2A
SCHEMBL7954323 0.87 TSHR (0.43) TSHRALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7643692 0.83 RORC (0.45) TSHRRORCALDH1A1BDKRB2BDKRB1
SCHEMBL6946267 0.83 MMP9 (0.39) RORCMMP9
SCHEMBL6944021 0.82 MMP8 (0.53) TSHRRORCALDH1A1BDKRB2BDKRB1
SCHEMBL6939720 0.82 MMP8 (0.53) TSHRRORCALDH1A1BDKRB2BDKRB1
SCHEMBL7650181 0.81 ALDH1A1 (0.48) TSHRRORCALDH1A1BDKRB2BDKRB1
SCHEMBL7649083 0.81 ALDH1A1 (0.54) TSHRRORCALDH1A1BDKRB2BDKRB1
SCHEMBL6943022 0.75 BRD4 (0.42) TSHRRORCALDH1A1KMT2A

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-1155013-B1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2003-07-23 EP disclosed
US-6479515-B1 FOR THE TREATMENT OF PAIN AND INFLAMMATION, AND ESPECIALLY IN THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS FOURNIER INDUSTRIE ET SANTE (FR) 2002-11-12 US disclosed
WO-2000050418-A9 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2001-02-22 WO disclosed