SCHEMBL8340930

SCHEMBL8340930

CN1CC[C@@H](Oc2cc(N[S+]([O-])c3cc(-c4ccc(N)cc4)c(Cl)s3)ccc2C(F)(F)F)C1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 15/20 0.53
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
ERBB2 P04626 1/20 0.33
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33

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
SCHEMBL8339344 0.92 UTS2R (0.53) UTS2RF2F10
SCHEMBL8338944 0.90 UTS2R (0.51) UTS2R
SCHEMBL8340407 0.88 UTS2R (0.52) UTS2R
SCHEMBL8338638 0.83 UTS2R (0.48) UTS2R
SCHEMBL6828350 0.82 UTS2R (0.56) UTS2R
SCHEMBL8343399 0.78 UTS2R (0.52) UTS2R
SCHEMBL8339680 0.77 UTS2R (0.60) UTS2R
SCHEMBL8342538 0.77 UTS2R (0.54) UTS2R
SCHEMBL8342573 0.77 UTS2R (0.49) UTS2R
SCHEMBL6828887 0.75 UTS2R (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004043368-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed