SCHEMBL6550533

SCHEMBL6550533

COc1ccc(C=CC(Cl)=NOCC(O)CN2CCOCC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.60
PDE4A P27815 4/20 0.60
PDE4B Q07343 4/20 0.60
PDE4C Q08493 4/20 0.60
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 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
SCHEMBL6550528 1.00 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL6548832 0.91 KDM4E (0.60) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL6548825 0.91 KDM4E (0.60) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL6549086 0.83 POLB (0.51) SMN1; SMN2MEN1KMT2ANPC1L3MBTL1
SCHEMBL6549091 0.83 POLB (0.51) SMN1; SMN2MEN1KMT2ANPC1L3MBTL1
SCHEMBL6548688 0.83 PRMT5 (0.50) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL6548685 0.83 PRMT5 (0.50) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL28748161 0.82 KDM4E (0.59) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL7673625 0.82 KDM4E (0.59) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL6550742 0.78 SMN1; SMN2 (0.42) PDE4DPDE4APDE4BPDE4CTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115697-B1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS GENE KUTATO KFT N (HU) 2004-02-04 EP disclosed
US-6500823-B1 ENERGY DEFICIENCY OF THE CELL CAUSED BY PARP INHIBITION, IN DIABETES COMPLICATIONS, IN OXYGEN DEFICIENT STATUS OF THE HEART AND BRAIN, IN NEURODEGENERATIVE DISEASES, IN THE TREATMENT OF AUTOIMMUNE AND/OR VIRAL DISEASES N-GENE RESEARCH LABORATORIES, INC. 2002-12-31 US disclosed
EP-1115697-A1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS N-Gene Kutato KFT. (HU) 2001-07-18 EP disclosed
WO-2000014054-A1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS N-Gene Kutató Kft. (HU) 2000-03-16 WO disclosed