SCHEMBL6817488

SCHEMBL6817488

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3cc(Br)c(Sc4ccc5ccccc5c4)s3)ccc2C(F)(F)F)C1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 18/20 0.60
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SCD O00767 1/20 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
SCHEMBL6817494 1.00 UTS2R (0.60) UTS2RKDM4ELMNAMAPTNPSR1
SCHEMBL6821383 0.90 UTS2R (0.61) UTS2R
SCHEMBL6821390 0.90 UTS2R (0.61) UTS2R
SCHEMBL6820786 0.90 UTS2R (0.62) UTS2RKDM4EMAPT
SCHEMBL6821337 0.90 UTS2R (0.62) UTS2RKDM4EMAPT
SCHEMBL6820784 0.90 UTS2R (0.62) UTS2RKDM4EMAPT
SCHEMBL6821343 0.90 UTS2R (0.62) UTS2RKDM4EMAPT
SCHEMBL6820769 0.90 UTS2R (0.63) UTS2RLMNA
SCHEMBL6820771 0.90 UTS2R (0.63) UTS2RLMNA
SCHEMBL6823511 0.89 UTS2R (0.60) 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 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