SCHEMBL6817552

SCHEMBL6817552

CN1CCC(Oc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(Nc4ccc(C(N)=O)cc4)s3)ccc2C(F)(F)F)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 15/20 0.51
ALDH1A1 P00352 1/20 0.38
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
SCD O00767 2/20 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
SCHEMBL6817542 1.00 UTS2R (0.51) UTS2RALDH1A1F2F10SCD
SCHEMBL6821328 0.87 UTS2R (0.51) UTS2R
SCHEMBL6821321 0.87 UTS2R (0.51) UTS2R
SCHEMBL8342604 0.86 UTS2R (0.57) UTS2RF2F10
SCHEMBL8342189 0.86 UTS2R (0.59) UTS2R
SCHEMBL6815857 0.84 UTS2R (0.57) UTS2R
SCHEMBL6815846 0.84 UTS2R (0.57) UTS2R
SCHEMBL8340971 0.82 UTS2R (0.55) UTS2R
SCHEMBL8338032 0.82 UTS2R (0.53) UTS2RALDH1A1SCD
SCHEMBL6821322 0.81 UTS2R (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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