SCHEMBL7820153

SCHEMBL7820153

CCN(CC)S(=O)(=O)c1ccc(OC)c(C=O)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
MAPT P10636 2/20 0.62
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 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
SCHEMBL7820384 0.85 POLB (0.67) ALDH1A1MAPTKDM4ETSHRPOLB
SCHEMBL5789989 0.83 MAPT (0.58) ALDH1A1MAPTKDM4EL3MBTL1TSHR
SCHEMBL7204676 0.83 ALDH1A1 (0.77) ALDH1A1MAPTKDM4EL3MBTL1TSHR
SCHEMBL7804821 0.81 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EL3MBTL1TSHR
SCHEMBL13997417 0.80 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EL3MBTL1TSHR
SCHEMBL31433349 0.80 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EL3MBTL1TSHR
SCHEMBL30989179 0.79 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EL3MBTL1TSHR
SCHEMBL1143451 0.79 POLB (0.72) ALDH1A1MAPTKDM4EL3MBTL1TSHR
SCHEMBL31588120 0.79 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EL3MBTL1TSHR
SCHEMBL30414489 0.79 POLB (0.72) ALDH1A1MAPTKDM4EL3MBTL1TSHR

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
EP-0655996-B1 SUBSTITUTED BENZYLAMINO NITROGEN CONTAINING NON-AROMATIC HETEROCYCLES PFIZER (US) 2001-11-07 EP disclosed
EP-1114823-A2 Substituted benzylamino nitrogen containing non-aromatic heterocycles PFIZER INC. (US) 2001-07-11 EP disclosed
US-5721255-A Substituted benzylamino nitrogen containing non-aromatic heterocycles PFIZER INC. (US) 1998-02-24 US disclosed
EP-0655996-A1 SUBSTITUTED BENZYLAMINO NITROGEN CONTAINING NON-AROMATIC HETEROCYCLES PFIZER INC. (US) 1995-06-07 EP disclosed
WO-1994004496-A9 SUBSTITUTED BENZYLAMINO NITROGEN CONTAINING NON-AROMATIC HETEROCYCLES 1995-01-26 WO disclosed
WO-1994004496-A1 SUBSTITUTED BENZYLAMINO NITROGEN CONTAINING NON-AROMATIC HETEROCYCLES PFIZER INC. (US) 1994-03-03 WO disclosed