SCHEMBL6817637

SCHEMBL6817637

CN1CCC(Oc2cc(NS(=O)(=O)c3ccc(Sc4ccc(C(F)(F)F)cc4)cc3Cl)ccc2C(F)(F)F)C1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 18/20 0.63
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 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
SCHEMBL6817631 1.00 UTS2R (0.63) UTS2RKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6821143 0.94 UTS2R (0.63) UTS2RPPARG
SCHEMBL6821135 0.94 UTS2R (0.63) UTS2RPPARG
SCHEMBL6822447 0.94 UTS2R (0.65) UTS2R
SCHEMBL6822449 0.94 UTS2R (0.65) UTS2R
SCHEMBL6821277 0.93 UTS2R (0.61) UTS2RPPARG
SCHEMBL6821285 0.93 UTS2R (0.61) UTS2RPPARG
SCHEMBL6820854 0.92 UTS2R (0.63) UTS2RPPARG
SCHEMBL6820953 0.92 UTS2R (0.63) UTS2RPPARG
SCHEMBL6820857 0.92 UTS2R (0.63) UTS2RPPARG

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