SCHEMBL6548825

SCHEMBL6548825

COc1ccc(/C=C/C(Cl)=N/OCC(O)CN2CCCC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
PDE4D Q08499 4/20 0.52
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
ACHE P22303 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
HSF1 Q00613 3/20 0.42
NFE2L2 Q16236 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6548832 1.00 KDM4E (0.60) KDM4EKMT2AMEN1NPC1PDE4D
SCHEMBL6550528 0.91 PDE4D (0.60) KDM4EKMT2AMEN1NPC1PDE4D
SCHEMBL6550533 0.91 PDE4D (0.60) KDM4EKMT2AMEN1NPC1PDE4D
SCHEMBL6548685 0.85 PRMT5 (0.50) KDM4EKMT2AMEN1NPC1ALDH1A1
SCHEMBL6548688 0.85 PRMT5 (0.50) KDM4EKMT2AMEN1NPC1ALDH1A1
SCHEMBL6548872 0.82 ABCB1 (0.55) KDM4ETSHRHSF1CYP2D6
SCHEMBL6549925 0.81 ABCB1 (0.57) KDM4ETSHRHSF1CYP2D6
SCHEMBL6549930 0.81 ABCB1 (0.57) KDM4ETSHRHSF1CYP2D6
SCHEMBL6550502 0.79 KDM4E (0.66) KDM4EKMT2AMEN1NPC1PDE4D
SCHEMBL6550294 0.78 NFE2L2 (0.45) KDM4EKMT2AALDH1A1NFE2L2

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