SCHEMBL8339648

SCHEMBL8339648

CN1CC[C@@H](Oc2cc(N[S+]([O-])c3cc([N+](=O)[O-])c(Nc4ccccc4)s3)ccc2C(F)(F)F)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 12/20 0.47
TMEM97 Q5BJF2 4/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TTR P02766 1/20 0.33
SCD O00767 1/20 0.32

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
SCHEMBL8342573 0.82 UTS2R (0.49) UTS2RTMEM97
SCHEMBL8340622 0.81 UTS2R (0.51) UTS2RTMEM97
SCHEMBL8339680 0.80 UTS2R (0.60) UTS2RKDM4ELMNAMAPTNPSR1
SCHEMBL6821321 0.77 UTS2R (0.51) UTS2R
SCHEMBL6821328 0.77 UTS2R (0.51) UTS2R
SCHEMBL8340407 0.76 UTS2R (0.52) UTS2RKDM4ELMNAMAPTNPSR1
SCHEMBL6817542 0.76 UTS2R (0.51) UTS2RSCD
SCHEMBL6817552 0.76 UTS2R (0.51) UTS2RSCD
SCHEMBL6821322 0.74 UTS2R (0.55) UTS2RTMEM97LMNA
SCHEMBL6821330 0.74 UTS2R (0.55) UTS2RTMEM97LMNA

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