SCHEMBL6600291

SCHEMBL6600291

COc1cc(O)c(CN(CCc2ccc([N+](=O)[O-])cc2)C(=O)O)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CDC25C P30307 4/20 0.48
KCNH2 Q12809 4/20 0.47
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
BMP1 P13497 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5383934 0.88 MEN1 (0.47) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL6598928 0.85 CALM1 (0.44) MEN1KMT2ATDP1
SCHEMBL20380500 0.77 CRHBP (0.59) MEN1KMT2ACDC25CKCNH2ALDH1A1
SCHEMBL5383983 0.77 CDC25C (0.60) MEN1KMT2ACDC25CKCNH2MAPT
SCHEMBL15267163 0.75 SLC2A1 (0.56) MEN1KMT2AKCNH2MAPTALDH1A1
SCHEMBL6983272 0.74 QRFPR (0.44) MEN1KMT2ATDP1ALDH1A1
SCHEMBL6983275 0.74 QRFPR (0.44) MEN1KMT2ATDP1ALDH1A1
SCHEMBL15264866 0.73 SLC2A1 (0.56) MEN1KMT2AMAPTALDH1A1
SCHEMBL15264861 0.73 SLC2A1 (0.56) MEN1KMT2AMAPTALDH1A1
SCHEMBL5384679 0.73 CALM1 (0.42) MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265891-B1 NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES CONSEILS DE RECH SET D APPLIC (FR) 2004-12-29 EP disclosed
CN-1173969-C Novel lipoic acid derivatives, their prepn., and pharmaceutical compositions containing them ��ѧ�о���Ӧ����ѯ��˾ 2004-11-03 CN disclosed
EP-1169316-B9 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-10-29 EP disclosed
US-6605637-B1 Nitrogen monoxide synthase inhibitors; such as n-(4-(((2-thienyl)(imino)methyl)amino)phenyl)-1,2-dithiolane-3-pentamide SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-08-12 US disclosed
EP-1169316-B1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-03-05 EP disclosed
CN-1349523-A Novel lipoic acid derivatives, their prepn., and pharmaceutical compositions containing them CONSEIL DE RECH S ET D APPLIC (FR) 2002-05-15 CN disclosed
EP-1169316-A1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-09 EP disclosed
WO-2000059899-A1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEIL DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-10-12 WO disclosed