SCHEMBL3964546

SCHEMBL3964546

O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(C3C=CCC=C3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
ALDH1A1 P00352 2/20 0.63
KMT2A Q03164 7/20 0.58
MEN1 O00255 5/20 0.58
MAPT P10636 2/20 0.57
EPHX2 P34913 1/20 0.55
POLB P06746 2/20 0.53
ACHE P22303 1/20 0.52
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL27672537 0.86 SMN1; SMN2 (0.56) LMNAALDH1A1KMT2AMEN1EPHX2
SCHEMBL27672499 0.82 LMNA (0.57) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL27652334 0.82 LMNA (0.57) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL23271159 0.81 LMNA (0.72) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL853015 0.81 LMNA (0.72) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL27672498 0.81 VCAM1 (0.64) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL27652309 0.80 MEN1 (0.61) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL27652322 0.80 MBTD1 (0.61) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL27652303 0.80 SMN1; SMN2 (0.54) LMNAKMT2AMEN1POLBHTT
SCHEMBL27750115 0.80 MCOLN3 (0.53) LMNAALDH1A1KMT2AMEN1EPHX2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1860114-A Benzoxazinone-derived sulfonamide compounds, process for their preparation and their use as pharmaceuticals ESTEVE LABOR DR (ES) 2006-11-08 CN claimed
CN-101563106-A Combination of nmda- receptor ligand and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-10-21 CN disclosed
CN-101500611-A Combination of a cholinesterase inhibitor and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-08-05 CN disclosed
EP-2081600-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-29 EP disclosed
WO-2008034815-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-27 WO disclosed
CN-1860114-A Benzoxazinone-derived sulfonamide compounds, process for their preparation and their use as pharmaceuticals ESTEVE LABOR DR (ES) 2006-11-08 CN disclosed