SCHEMBL6821087

SCHEMBL6821087

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3ccc(Sc4ccc(F)cc4F)cc3)ccc2C(F)(F)F)C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 16/20 0.59
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6821091 1.00 UTS2R (0.59) UTS2RKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL6824508 0.92 UTS2R (0.64) UTS2RALDH1A1TP53FFAR4
SCHEMBL6824514 0.92 UTS2R (0.64) UTS2RALDH1A1TP53FFAR4
SCHEMBL6821152 0.88 UTS2R (0.59) UTS2R
SCHEMBL6821157 0.88 UTS2R (0.59) UTS2R
SCHEMBL6817433 0.88 UTS2R (0.68) UTS2RSMN1; SMN2TP53FFAR4
SCHEMBL6821074 0.87 UTS2R (0.64) UTS2RKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL6821079 0.87 UTS2R (0.64) UTS2RKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL6820375 0.85 UTS2R (0.59) UTS2RALDH1A1TP53LMNANPSR1
SCHEMBL6820307 0.85 UTS2R (0.59) UTS2RKDM4EMAPTALDH1A1SMN1; SMN2

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