SCHEMBL6820770

SCHEMBL6820770

COc1cccc(Sc2sc(S(=O)(=O)Nc3ccc(C(F)(F)F)c(O[C@]4(C)CCNC4)c3)cc2Br)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 9/20 0.37
▸ LMNA P02545 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GUSB P08236 3/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ BRAF P15056 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RORA P35398 1/20 0.30
▸ RORC P51449 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL6823505 0.92 UTS2R (0.36) UTS2RLMNAFFAR4HTTSMN1; SMN2
SCHEMBL6817492 0.90 UTS2R (0.35) UTS2RHTTSMN1; SMN2HPGD
SCHEMBL6817378 0.90 UTS2R (0.41) UTS2RLMNAMEN1KMT2AHTT
SCHEMBL6821387 0.88 UTS2R (0.36) UTS2RLMNAPKMHTTSMN1; SMN2
SCHEMBL6821340 0.88 UTS2R (0.36) UTS2RLMNAFFAR4HTTSMN1; SMN2
SCHEMBL6820785 0.88 UTS2R (0.36) UTS2RLMNAMEN1KMT2AFFAR4
SCHEMBL6821386 0.87 UTS2R (0.36) UTS2RLMNAFFAR4HTTSMN1; SMN2
SCHEMBL6823458 0.87 UTS2R (0.36) UTS2RLMNAHTTSMN1; SMN2
SCHEMBL6824519 0.86 TP53 (0.37) UTS2RLMNAMEN1PKMKMT2A
SCHEMBL6820297 0.85 FFAR4 (0.43) UTS2RLMNAMEN1PKMKMT2A

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
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