SCHEMBL8339835

SCHEMBL8339835

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3cc(Cl)c(Cl)s3)ccc2Br)C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 16/20 0.60
ERBB2 P04626 1/20 0.42
EPHA2 P29317 1/20 0.42
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
HTR6 P50406 1/20 0.41
KIT P10721 1/20 0.38
CCR4 P51679 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
SCHEMBL8337423 0.93 UTS2R (0.58) UTS2RERBB2EPHA2KDREPHB4
SCHEMBL5742992 0.89 UTS2R (0.68) UTS2RERBB2EPHA2KDREPHB4
SCHEMBL5742998 0.89 UTS2R (0.68) UTS2RERBB2EPHA2KDREPHB4
SCHEMBL6828351 0.88 UTS2R (0.63) UTS2RHTR6
SCHEMBL6828353 0.88 UTS2R (0.63) UTS2RHTR6
SCHEMBL5741755 0.87 UTS2R (0.69) UTS2RERBB2EPHA2KDREPHB4
SCHEMBL5744180 0.87 UTS2R (0.69) UTS2RERBB2EPHA2KDREPHB4
SCHEMBL5741757 0.87 UTS2R (0.69) UTS2RERBB2EPHA2KDREPHB4
SCHEMBL6830473 0.86 UTS2R (0.51) UTS2RERBB2EPHA2KDREPHB4
SCHEMBL6830470 0.86 UTS2R (0.51) UTS2RERBB2EPHA2KDREPHB4

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-2004043366-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed