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SCHEMBL6683280

SCHEMBL6683280

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3ccc4c(c3)CN(C(=O)C(F)(F)F)CC4)ccc2C(F)(F)F)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 13/20 0.55
▸ PKM P14618 1/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KCNA1 Q09470 1/20 0.39
▸ KCNAB1 Q14722 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 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
SCHEMBL8337453 1.00 UTS2R (0.55) UTS2RPKMESR1ESR2SMN1; SMN2
SCHEMBL6686223 0.86 UTS2R (0.63) UTS2RPKMSMN1; SMN2
SCHEMBL6677197 0.86 UTS2R (0.63) UTS2RPKMSMN1; SMN2
SCHEMBL6677188 0.86 UTS2R (0.63) UTS2RPKMSMN1; SMN2
SCHEMBL6819749 0.81 UTS2R (0.67) UTS2R
SCHEMBL6824191 0.81 UTS2R (0.67) UTS2R
SCHEMBL8342356 0.80 UTS2R (0.64) UTS2R
SCHEMBL8342627 0.80 UTS2R (0.64) UTS2R
SCHEMBL5834910 0.80 UTS2R (0.71) UTS2R
SCHEMBL6814887 0.80 UTS2R (0.66) 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-2004043369-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 — — WO claimed
WO-2004043369-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 — — WO disclosed