SCHEMBL5781386

SCHEMBL5781386

CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3COCc4ccccc43)CC2)cc1.O=c1nc2ccccc2co1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.38
▸ PKM P14618 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ FASN P49327 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PDE10A Q9Y233 1/20 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
SCHEMBL5786541 0.91 HTR6 (0.42) HTR6PKMALDH1A1KDM4ETP53
SCHEMBL5697885 0.88 LMNA (0.39) HTR6PKMALDH1A1KDM4ELMNA
SCHEMBL5784055 0.87 GBA1 (0.40) HTR6PKMKDM4E
SCHEMBL5697915 0.87 HTR6 (0.37) HTR6PKMALDH1A1KDM4ELMNA
SCHEMBL5786579 0.87 MEN1 (0.40) HTR6ALDH1A1LMNAL3MBTL1POLB
SCHEMBL5441438 0.86 ALDH1A1 (0.43) HTR6PKMALDH1A1KDM4ELMNA
SCHEMBL5783278 0.85 PKM (0.42) HTR6PKMALDH1A1KDM4ELMNA
SCHEMBL5781747 0.85 CHRM1 (0.36) PKMALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL6051263 0.85 HTR6 (0.43) HTR6PKMALDH1A1TP53FASN
SCHEMBL5782809 0.84 PKM (0.40) HTR6PKMALDH1A1KDM4ELMNA

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 disclosed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 — — WO disclosed
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