SCHEMBL6821383

SCHEMBL6821383

Cc1ccc(Sc2sc(S(=O)(=O)Nc3ccc(C(F)(F)F)c(O[C@@H]4CCN(C)C4)c3)cc2Br)cc1C

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 19/20 0.61
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6821390 1.00 UTS2R (0.61) UTS2RALDH1A1HTT
SCHEMBL8342297 0.94 UTS2R (0.59) UTS2RALDH1A1HTT
SCHEMBL6820786 0.91 UTS2R (0.62) UTS2RALDH1A1
SCHEMBL6821337 0.91 UTS2R (0.62) UTS2RALDH1A1
SCHEMBL6821343 0.91 UTS2R (0.62) UTS2RALDH1A1
SCHEMBL6820784 0.91 UTS2R (0.62) UTS2RALDH1A1
SCHEMBL6817494 0.90 UTS2R (0.60) UTS2R
SCHEMBL6817380 0.90 UTS2R (0.69) UTS2RHTT
SCHEMBL6817375 0.90 UTS2R (0.69) UTS2RHTT
SCHEMBL6817488 0.90 UTS2R (0.60) UTS2R

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
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO claimed
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed