SCHEMBL6678341

SCHEMBL6678341

COc1ccc(Oc2ncc(S(=O)(=O)Nc3ccc(Cl)c(O[C@]4(C)CCNC4)c3)cc2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.41
▸ S100A9 P06702 3/20 0.40
▸ CYP17A1 P05093 1/20 0.38
▸ LMNA P02545 5/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ POLB P06746 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ PKM P14618 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SGK1 O00141 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 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
SCHEMBL6675715 0.93 LMNA (0.39) HPGDS100A9CYP17A1LMNAMAPT
SCHEMBL6679728 0.93 S100A9 (0.37) HPGDS100A9LMNAMAPTHTT
SCHEMBL6674003 0.91 S100A9 (0.37) S100A9CYP17A1LMNAMAPTHTT
SCHEMBL6676986 0.90 S100A9 (0.36) HPGDS100A9CYP17A1LMNAMAPT
SCHEMBL6825132 0.89 FFAR4 (0.41) HPGDS100A9CYP17A1LMNAMAPT
SCHEMBL6678442 0.87 S100A9 (0.37) HPGDS100A9LMNAMAPTHTT
SCHEMBL6822583 0.86 PLA2G7 (0.38) S100A9LMNAMAPTHTTPOLB
SCHEMBL6672793 0.86 ALDH1A1 (0.43) S100A9LMNAMAPTHTTPOLB
SCHEMBL6824849 0.83 LMNA (0.39) S100A9LMNAMAPTHTTPOLB
SCHEMBL6822523 0.83 UTS2R (0.41) S100A9LMNAMAPTHTTPOLB

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-2004043463-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 — — WO disclosed
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