SCHEMBL8339680

SCHEMBL8339680

CN1CCC(Oc2cc(N[S+]([O-])c3ccccc3)ccc2C(F)(F)F)C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 14/20 0.60
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PDE10A Q9Y233 1/20 0.38
TTR P02766 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
SCHEMBL8342538 0.82 UTS2R (0.54) UTS2RHTR2CHTR2B
SCHEMBL8341255 0.80 UTS2R (0.65) UTS2RHTR2CHTR2BPDE10A
SCHEMBL8340407 0.80 UTS2R (0.52) UTS2RKDM4ELMNAMAPTNPSR1
SCHEMBL8339648 0.80 UTS2R (0.47) UTS2RKDM4ELMNAMAPTNPSR1
SCHEMBL6634700 0.78 UTS2R (0.59) UTS2RKDM4ELMNAMAPTNPSR1
SCHEMBL6634696 0.78 UTS2R (0.59) UTS2RKDM4ELMNAMAPTNPSR1
SCHEMBL8339344 0.77 UTS2R (0.53) UTS2RHTR2CHTR2B
SCHEMBL8340930 0.77 UTS2R (0.53) UTS2R
SCHEMBL8338944 0.76 UTS2R (0.51) UTS2R
SCHEMBL8339671 0.75 UTS2R (0.47) UTS2RKDM4ELMNAMAPTNPSR1

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 disclosed