SCHEMBL5784647

SCHEMBL5784647

Cc1nc(S(=O)(=O)N2CCC(N3COCc4ccccc43)CC2)cn1C.O=c1nc2ccccc2co1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.41
▸ HTR6 P50406 6/20 0.36
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 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
SCHEMBL6051263 0.85 HTR6 (0.43) HTR6HSD11B1TP53
SCHEMBL5786541 0.84 HTR6 (0.42) HTR6HSD11B1TP53
SCHEMBL5786579 0.84 MEN1 (0.40) HTR6LMNA
SCHEMBL5781386 0.84 HTR6 (0.38) HTR6LMNATP53
SCHEMBL5697885 0.83 LMNA (0.39) HTR6LMNA
SCHEMBL5781878 0.82 TSHR (0.44) LMNA
SCHEMBL5697915 0.81 HTR6 (0.37) HTR6LMNA
SCHEMBL5815922 0.80 PKM (0.38) HTR6LMNA
SCHEMBL5784055 0.80 GBA1 (0.40) HTR6
SCHEMBL5785250 0.79 HTR6 (0.38) HTR6

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
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 — — EP claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 — — WO claimed
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