SCHEMBL6820784

SCHEMBL6820784

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3cc(Br)c(Sc4ccc(C(F)(F)F)cc4)s3)ccc2C(F)(F)F)C1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 19/20 0.62
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6820786 1.00 UTS2R (0.62) UTS2RKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6821337 0.94 UTS2R (0.62) UTS2RKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6821343 0.94 UTS2R (0.62) UTS2RKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6823500 0.92 UTS2R (0.60) UTS2R
SCHEMBL6823511 0.92 UTS2R (0.60) UTS2R
SCHEMBL6821390 0.91 UTS2R (0.61) UTS2RALDH1A1
SCHEMBL6821383 0.91 UTS2R (0.61) UTS2RALDH1A1
SCHEMBL6817494 0.90 UTS2R (0.60) UTS2RKDM4EMAPT
SCHEMBL6817380 0.90 UTS2R (0.69) UTS2RSMN1; SMN2
SCHEMBL6817375 0.90 UTS2R (0.69) UTS2RSMN1; SMN2

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-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO claimed
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed