SCHEMBL7423525

SCHEMBL7423525

O=C(O)CCCOc1ccccc1CCN(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.52
PSEN2 P49810 12/20 0.52
APH1B Q8WW43 12/20 0.52
NCSTN Q92542 12/20 0.52
APH1A Q96BI3 12/20 0.52
PSENEN Q9NZ42 12/20 0.52
KEAP1 Q14145 4/20 0.41
NFE2L2 Q16236 4/20 0.41
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7436129 0.90 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7534816 0.89 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7430880 0.88 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30262321 0.85 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7534821 0.83 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6400000 0.82 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL7534648 0.82 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL7426291 0.82 KDM4E (0.46) HTT
SCHEMBL7430884 0.81 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7426342 0.80 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A

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-1159263-A1 NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF Merck & Co., Inc. (US) 2001-12-05 EP disclosed
WO-2000050391-A1 NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF MERCK & CO., INC. (US) 2000-08-31 WO disclosed