SCHEMBL6550294

SCHEMBL6550294

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.45
KMT2A Q03164 1/20 0.44
TOP2A P11388 1/20 0.42
ADRB1 P08588 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
RAD52 P43351 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL6550288 1.00 NFE2L2 (0.45) NFE2L2KMT2ATOP2AADRB1SMN1; SMN2
SCHEMBL7682835 0.80 NFE2L2 (0.54) NFE2L2KMT2AADRB1SMN1; SMN2KDM4E
SCHEMBL6548832 0.78 KDM4E (0.60) NFE2L2KMT2AKDM4EALDH1A1
SCHEMBL6548825 0.78 KDM4E (0.60) NFE2L2KMT2AKDM4EALDH1A1
SCHEMBL6552034 0.77 ADRB1 (0.44) ADRB1SMN1; SMN2LMNARAD52
SCHEMBL6552036 0.77 ADRB1 (0.44) ADRB1SMN1; SMN2LMNARAD52
SCHEMBL8675291 0.77 FDPS (0.61) NFE2L2KMT2AKDM4EALDH1A1HPGD
SCHEMBL29426332 0.77 FDPS (0.61) NFE2L2KMT2AKDM4EALDH1A1HPGD
SCHEMBL6550533 0.76 PDE4D (0.60) KMT2ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL6550528 0.76 PDE4D (0.60) KMT2ASMN1; SMN2LMNAKDM4EALDH1A1

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