SCHEMBL8093585

SCHEMBL8093585

COc1ccc(S(=O)(=O)Cl)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
GAA P10253 1/20 0.55
LMNA P02545 3/20 0.52
POLB P06746 3/20 0.52
ALDH1A1 P00352 2/20 0.52
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
PKM P14618 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL8957241 0.88 APP (0.57) APPGAALMNAPOLBALDH1A1
SCHEMBL10924203 0.86 PKM (0.70) APPGAALMNAPOLBALDH1A1
SCHEMBL11247993 0.86 HSPB1 (0.59) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL6108870 0.85 PKM (0.67) GAAALDH1A1PTGS2CA1CA2
SCHEMBL20328415 0.85 APP (0.70) APPLMNAPOLBALDH1A1PTGS1
SCHEMBL17673 0.85 CA2 (0.61) LMNAALDH1A1CA1CA2CA9
SCHEMBL67837 0.85 PKM (0.67) GAAALDH1A1PTGS2CA1CA2
SCHEMBL492221 0.85 APP (0.70) APPLMNAPOLBALDH1A1PTGS1
SCHEMBL20328414 0.85 APP (0.70) APPLMNAPOLBALDH1A1PTGS1
Hydrochloric Acid SCHEMBL15269629 0.83 APP (0.68) APPLMNAPOLBALDH1A1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998008813-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed