SCHEMBL6674472

SCHEMBL6674472

C[C@@]1(Oc2cc(NS(=O)(=O)c3cnc(Sc4cc(Cl)cc(Cl)c4)c(Br)c3)ccc2Cl)CCNC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.34
▸ PSEN1 P49768 3/20 0.34
▸ PSEN2 P49810 3/20 0.34
▸ APH1B Q8WW43 3/20 0.34
▸ NCSTN Q92542 3/20 0.34
▸ APH1A Q96BI3 3/20 0.34
▸ PSENEN Q9NZ42 3/20 0.34
▸ LMNA P02545 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.32
▸ UTS2R Q9UKP6 1/20 0.32
▸ S100A9 P06702 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31

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
SCHEMBL6824709 0.91 UTS2R (0.36) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL6674024 0.89 LMNA (0.39) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL6680164 0.87 PTPN11 (0.34) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL6672793 0.86 ALDH1A1 (0.43) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL6674003 0.85 S100A9 (0.37) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL6679728 0.80 S100A9 (0.37) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL6818539 0.80 UTS2R (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6824643 0.80 UTS2R (0.35) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL6678442 0.79 S100A9 (0.37) HTR6LMNAMEN1KMT2AMAPT
SCHEMBL6678341 0.79 HPGD (0.41) HTR6PSEN1PSEN2APH1BNCSTN

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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