SCHEMBL6822164

SCHEMBL6822164

COc1cccc(Sc2ncc(S(=O)(=O)Nc3ccc(C(F)(F)F)c(O[C@]4(C)CCNC4)c3)cc2Br)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 8/20 0.38
▸ BRAF P15056 4/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ AR P10275 1/20 0.33
▸ RORA P35398 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ RAF1 P04049 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ PLAT P00750 1/20 0.32

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
SCHEMBL6818539 0.92 UTS2R (0.36) UTS2RBRAFFFAR4
SCHEMBL6821545 0.90 UTS2R (0.42) UTS2RBRAFEGFRKDR
SCHEMBL6824709 0.87 UTS2R (0.36) UTS2RFFAR4
SCHEMBL6822074 0.87 UTS2R (0.38) UTS2RBRAFFFAR4SLC22A12NR3C1
SCHEMBL6820297 0.86 FFAR4 (0.43) UTS2RFFAR4RORARORCNR1H2
SCHEMBL6824643 0.85 UTS2R (0.35) UTS2R
SCHEMBL6820770 0.83 UTS2R (0.37) UTS2RBRAFFFAR4SLC22A12RORA
SCHEMBL6825132 0.83 FFAR4 (0.41) UTS2RFFAR4SLC22A12
SCHEMBL6821207 0.82 ALDH1A1 (0.39) UTS2RFFAR4
SCHEMBL6824462 0.81 PKM (0.37) UTS2RFFAR4SLC22A12

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-2004043948-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 — — WO disclosed
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