SCHEMBL6548685

SCHEMBL6548685

COc1ccc(/C=C/C(Cl)=N/OCC(O)CN2CCc3ccccc3C2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 11/20 0.50
WDR77 Q9BQA1 8/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.44
BCHE P06276 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL6548688 1.00 PRMT5 (0.50) PRMT5WDR77KMT2AMEN1KDM4E
SCHEMBL6548940 0.86 PRMT5 (0.54) PRMT5WDR77MAPT
SCHEMBL6548825 0.85 KDM4E (0.60) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL6548832 0.85 KDM4E (0.60) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL7683852 0.83 KDM4E (0.56) PRMT5WDR77KMT2AMEN1KDM4E
SCHEMBL6550528 0.83 PDE4D (0.60) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6550533 0.83 PDE4D (0.60) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6550294 0.73 NFE2L2 (0.45) KMT2AKDM4EALDH1A1MAPT
SCHEMBL6550288 0.73 NFE2L2 (0.45) KMT2AKDM4EALDH1A1MAPT
SCHEMBL6548872 0.71 ABCB1 (0.55) KDM4E

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