SCHEMBL6820339

SCHEMBL6820339

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3ccc(Sc4ccc(C(F)(F)F)cc4)c(Cl)c3)ccc2C(F)(F)F)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 16/20 0.57
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TGFBR1 P36897 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
SCHEMBL6820351 1.00 UTS2R (0.57) UTS2RMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6821311 0.92 UTS2R (0.54) UTS2RMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6821074 0.90 UTS2R (0.64) UTS2RMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6821079 0.90 UTS2R (0.64) UTS2RMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6820301 0.89 UTS2R (0.59) UTS2RMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6820307 0.89 UTS2R (0.59) UTS2RMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6820792 0.88 UTS2R (0.57) UTS2RMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL8342831 0.88 UTS2R (0.57) UTS2RMAPTKDM4ETP53
SCHEMBL6820790 0.88 UTS2R (0.57) UTS2RMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL8342132 0.87 UTS2R (0.68) UTS2RMEN1ALOX15MAPK1KMT2A

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