SCHEMBL15054868

SCHEMBL15054868

CC(C)CBr.CC(C)CN(CCc1ccc(Br)cc1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 19/20 0.50
RORA P35398 2/20 0.50
NR1H2 P55055 2/20 0.50
NR1H3 Q13133 2/20 0.50
RORB Q92753 2/20 0.50
NR1I2 O75469 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
AOC3 Q16853 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
SCHEMBL15055037 0.96 RORC (0.53) RORCRORANR1H2NR1H3RORB
SCHEMBL15054985 0.83 RORC (0.69) RORCRORANR1H2NR1H3RORB
SCHEMBL15054953 0.77 RORC (0.80) RORCRORANR1H2NR1H3RORB
SCHEMBL15054867 0.77 RORC (0.60) RORCRORANR1H2NR1H3RORB
SCHEMBL15054990 0.77 RORC (0.60) RORCRORANR1H2NR1H3RORB
SCHEMBL15055035 0.72 RORC (0.64) RORCRORANR1H2NR1H3RORB
SCHEMBL15055740 0.72 RORC (0.64) RORCRORANR1H2NR1H3RORB
SCHEMBL15071932 0.72 RORC (0.64) RORCRORANR1H2NR1H3RORB
SCHEMBL12130664 0.70 TSHR (0.47) RORCRORBAOC3
SCHEMBL15054989 0.69 RORC (0.65) RORCRORANR1H2NR1H3RORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794584-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-29 EP disclosed
WO-2013092941-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed