SCHEMBL6821545

SCHEMBL6821545

COc1ccc(Sc2ncc(S(=O)(=O)Nc3ccc(C(F)(F)F)c(O[C@]4(C)CCNC4)c3)cc2Br)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 8/20 0.42
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ BRAF P15056 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SHMT2 P34897 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 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
SCHEMBL6822164 0.90 UTS2R (0.38) UTS2RBRAFEGFRKDR
SCHEMBL6674024 0.90 LMNA (0.39) UTS2RMEN1KMT2AALOX15MAPK1
SCHEMBL6818539 0.89 UTS2R (0.36) UTS2RKMT2ABRAFPSEN1PSEN2
SCHEMBL6824709 0.89 UTS2R (0.36) UTS2RPSEN1PSEN2APH1BNCSTN
SCHEMBL6823783 0.87 LMNA (0.43) UTS2RMEN1KMT2AALOX15MAPK1
SCHEMBL6822523 0.85 UTS2R (0.41) UTS2RMEN1KMT2AALOX15MAPK1
SCHEMBL6824643 0.83 UTS2R (0.35) UTS2RMEN1KMT2ALMNA
SCHEMBL6817378 0.83 UTS2R (0.41) UTS2RMEN1KMT2AALOX15MAPK1
SCHEMBL6821207 0.83 ALDH1A1 (0.39) UTS2RKMT2ALMNAHTT
SCHEMBL6825132 0.81 FFAR4 (0.41) UTS2RMEN1KMT2ALMNAHTT

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