SCHEMBL721934

SCHEMBL721934

C(=NCCN1CCOCC1)=NC1CCCCC1.Cc1ccc(O)c(C)c1S(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
ALOX15 P16050 1/20 0.32
MAP1LC3B Q9GZQ8 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9806124 0.93 CYP1A2 (0.58) CYP1A2CYP2C9ALDH1A1KDM4EMAPK1
SCHEMBL7135046 0.90 CYP1A2 (0.54) CYP1A2CYP2C9ALDH1A1KDM4EPKM
SCHEMBL5484470 0.89 CYP1A2 (0.63) CYP1A2CYP2C9ALDH1A1TSHRHSD17B10
SCHEMBL335424 0.84 CYP1A2 (0.61) CYP1A2CYP2C9ALDH1A1KDM4EMAPK1
SCHEMBL10752281 0.84 CYP1A2 (0.58) CYP1A2CYP2C9ALDH1A1KDM4EMAPK1
P-Xylene SCHEMBL3752326 0.83 CYP1A2 (0.70) CYP1A2CYP2C9ALDH1A1MAPK1TSHR
SCHEMBL3459786 0.83 CYP1A2 (0.65) CYP1A2CYP2C9ALDH1A1KDM4EMAPK1
SCHEMBL9436866 0.83 CYP1A2 (0.59) CYP1A2CYP2C9ALDH1A1KDM4EMAPK1
SCHEMBL4015131 0.82 CYP1A2 (0.61) CYP1A2CYP2C9ALDH1A1TSHRHSD17B10
SCHEMBL11217225 0.82 CYP1A2 (0.58) CYP1A2CYP2C9ALDH1A1TSHRHSD17B10

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0340605-A2 Ruthenium complexes containing a DNA or RNA sequence F. HOFFMANN-LA ROCHE AG (CH) 1989-11-08 EP claimed
US-20180201930-A1 COMPOUNDS AND METHODS FOR MODULATING TARGET NUCLEAR AND SUB-NUCLEAR NUCLEIC ACID MOLECULES IN CELLS AND ANIMALS IONIS PHARMACEUTICALS, INC. (US) 2018-07-19 US disclosed
US-9845468-B2 Compounds and methods for modulating target nuclear and sub-nuclear nucleic acid molecules in cells and animals IONIS PHARMACEUTICALS, INC. (US) 2017-12-19 US disclosed
US-9845467-B2 Compounds and methods for modulating target nuclear and sub-nuclear nucleic acid molecules in cells and animals IONIS PHARMACEUTICALS, INC. (US) 2017-12-19 US disclosed
US-20160194638-A1 COMPOUNDS AND METHODS FOR MODULATING TARGET NUCLEAR AND SUB-NUCLEAR NUCLEIC ACID MOLECULES IN CELLS AND ANIMALS IONIS PHARMACEUTICALS, INC. (US) 2016-07-07 US disclosed
US-20160194637-A1 COMPOUNDS AND METHODS FOR MODULATING TARGET NUCLEAR AND SUB-NUCLEAR NUCLEIC ACID MOLECULES IN CELLS AND ANIMALS IONIS PHARMACEUTICALS, INC. (US) 2016-07-07 US disclosed
US-9192697-B2 Balloon catheter for treating stenosis of body passages and for preventing threatening restenosis HEMOTEQ AG (DE) 2015-11-24 US disclosed
US-8597720-B2 Medical product for treating stenosis of body passages and for preventing threatening restenosis HEMOTEQ AG (DE) 2013-12-03 US disclosed
WO-2012027033-A1 COMPOUNDS AND METHODS FOR MODULATING TARGET NUCLEAR AND SUB-NUCLEAR NUCLEIC ACID MOLECULES IN CELLS AND ANIMALS ISIS PHARMACEUTICALS, INC. (US) 2012-03-01 WO disclosed
US-20110287169-A1 MEDICAL PRODUCT FOR TREATING STENOSIS OF BODY PASSAGES AND FOR PREVENTING THREATENING RESTENOSIS HEMOTEQ AG 2011-11-24 US disclosed
EP-0650960-B1 Substituted heterocyclic carboxylic acid amide esters, their preparation and their us as medicaments HOECHST AG (DE) 1997-03-05 EP disclosed
EP-0650961-B1 Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments HOECHST AG (DE) 1997-03-05 EP disclosed
EP-0650961-A1 Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-03 EP disclosed
EP-0650960-A1 Substituted heterocyclic carboxylic acid amide esters, their preparation and their us as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-03 EP disclosed
EP-0439036-A2 Energy transferring system F. HOFFMANN-LA ROCHE AG (CH) 1991-07-31 EP disclosed
EP-0178450-B1 METAL COMPLEXES TO WHICH AN IMMUNOLOGICALLY ACTIVE MATERIAL CAN BE OR IS COUPLED, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 1991-04-17 EP disclosed
EP-0340605-A2 Ruthenium complexes containing a DNA or RNA sequence F. HOFFMANN-LA ROCHE AG (CH) 1989-11-08 EP disclosed
EP-0132732-B1 HOMOLOGUES FROM APROTININE WHOSE LYS 15 AMINO ACID IS SUBSTITUTED BY OTHER AMINO ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER AG (DE) 1988-06-08 EP disclosed
EP-0178450-A2 Metal complexes to which an immunologically active material can be or is coupled, their preparation and use F. HOFFMANN-LA ROCHE AG (CH) 1986-04-23 EP disclosed
EP-0127797-A1 Labelled molecules for fluorescence immunoassays and processes and intermediates for their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-12-12 EP disclosed