SCHEMBL6823780

SCHEMBL6823780

COc1ccc(Sc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)c(O[C@@H]4CCN(C)C4)c3)cc2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.70
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
CYP2D6 P10635 1/20 0.42
DRD2 P14416 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
HTR1F P30939 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6823786 1.00 UTS2R (0.70) UTS2RLMNAHTTSMN1; SMN2MEN1
SCHEMBL5835295 0.90 UTS2R (0.75) UTS2RLMNAHTTSMN1; SMN2MEN1
SCHEMBL5835300 0.90 UTS2R (0.75) UTS2RLMNAHTTSMN1; SMN2MEN1
SCHEMBL6824514 0.90 UTS2R (0.64) UTS2RMAPK1
SCHEMBL6824508 0.90 UTS2R (0.64) UTS2RMAPK1
SCHEMBL6821079 0.90 UTS2R (0.64) UTS2RSMN1; SMN2MEN1ALOX15MAPK1
SCHEMBL6821074 0.90 UTS2R (0.64) UTS2RSMN1; SMN2MEN1ALOX15MAPK1
SCHEMBL6820293 0.90 UTS2R (0.62) UTS2RLMNA
SCHEMBL6820300 0.90 UTS2R (0.62) UTS2RLMNA
SCHEMBL8339703 0.89 UTS2R (0.61) UTS2RMEN1KMT2A

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