SCHEMBL6817591

SCHEMBL6817591

COc1ccc(Oc2sc(S(=O)(=O)Nc3ccc(C(F)(F)F)c(O[C@@H]4CCN(C)C4)c3)cc2[N+](=O)[O-])cc1OC

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.60
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6817599 1.00 UTS2R (0.60) UTS2RSMN1; SMN2LMNAHTT
SCHEMBL6821322 0.90 UTS2R (0.55) UTS2RSMN1; SMN2LMNA
SCHEMBL6821330 0.90 UTS2R (0.55) UTS2RSMN1; SMN2LMNA
SCHEMBL8342189 0.89 UTS2R (0.59) UTS2R
SCHEMBL8342740 0.86 UTS2R (0.51) UTS2R
SCHEMBL8340622 0.85 UTS2R (0.51) UTS2R
SCHEMBL6822884 0.85 UTS2R (0.55) UTS2RLMNA
SCHEMBL6822882 0.85 UTS2R (0.55) UTS2RLMNA
SCHEMBL8342604 0.85 UTS2R (0.57) UTS2R
SCHEMBL6815846 0.85 UTS2R (0.57) 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