SCHEMBL6822884

SCHEMBL6822884

CN1CCC(Oc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(OC4CCOCC4)s3)ccc2C(F)(F)F)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.55
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SYK P43405 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL6822882 1.00 UTS2R (0.55) UTS2RALDH1A1MEN1MAPK1KMT2A
SCHEMBL8342189 0.95 UTS2R (0.59) UTS2R
SCHEMBL8342940 0.89 UTS2R (0.56) UTS2RSYK
SCHEMBL7132246 0.88 UTS2R (0.52) UTS2RALDH1A1MEN1MAPK1KMT2A
SCHEMBL6821322 0.88 UTS2R (0.55) UTS2RLMNA
SCHEMBL6821330 0.88 UTS2R (0.55) UTS2RLMNA
SCHEMBL6815846 0.87 UTS2R (0.57) UTS2R
SCHEMBL6815857 0.87 UTS2R (0.57) UTS2R
SCHEMBL8342604 0.87 UTS2R (0.57) UTS2R
SCHEMBL8339423 0.86 UTS2R (0.53) UTS2RSYK

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