SCHEMBL6674003

SCHEMBL6674003

C[C@@]1(Oc2cc(NS(=O)(=O)c3cnc(Oc4cc(Cl)cc(Cl)c4)c(Br)c3)ccc2Cl)CCNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A9 P06702 3/20 0.37
▸ LMNA P02545 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ SCN9A Q15858 2/20 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
SCHEMBL6676986 0.92 S100A9 (0.36) S100A9LMNAPOLBALDH1A1MEN1
SCHEMBL6679728 0.92 S100A9 (0.37) S100A9LMNAPOLBALDH1A1PSEN1
SCHEMBL6678341 0.91 HPGD (0.41) S100A9LMNAPOLBALDH1A1PSEN1
SCHEMBL6825082 0.91 SCN9A (0.35) S100A9LMNAPOLBPSEN1PSEN2
SCHEMBL6675715 0.89 LMNA (0.39) S100A9LMNAALDH1A1PSEN1PSEN2
SCHEMBL6678442 0.88 S100A9 (0.37) S100A9LMNAPOLBALDH1A1CYP3A4
SCHEMBL6672793 0.86 ALDH1A1 (0.43) S100A9LMNAPOLBALDH1A1PSEN1
SCHEMBL6822583 0.85 PLA2G7 (0.38) S100A9LMNAPOLBMEN1KMT2A
SCHEMBL6674472 0.85 HTR6 (0.34) S100A9LMNAPOLBALDH1A1PSEN1
SCHEMBL6824849 0.81 LMNA (0.39) S100A9LMNAPOLBALDH1A1MEN1

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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