SCHEMBL6552034

SCHEMBL6552034

CC(C)(C)NCC(O)CO/N=C(Cl)/C=C/c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.44
LMNA P02545 1/20 0.44
RAD52 P43351 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRB2 P07550 1/20 0.41
ADRB3 P13945 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
SCHEMBL6552036 1.00 ADRB1 (0.44) ADRB1LMNARAD52SMN1; SMN2ADRB2
Hydrochloric Acid SCHEMBL6549081 0.87 ADRB1 (0.43) ADRB1LMNARAD52SMN1; SMN2ADRB2
SCHEMBL7677813 0.80 ADRB2 (0.54) ADRB1ADRB2ADRB3
SCHEMBL7677818 0.80 ADRB2 (0.54) ADRB1ADRB2ADRB3
SCHEMBL6550294 0.77 NFE2L2 (0.45) ADRB1LMNARAD52SMN1; SMN2
SCHEMBL6549255 0.77 HSF1 (0.46) SMN1; SMN2
SCHEMBL6549259 0.77 HSF1 (0.46) SMN1; SMN2
SCHEMBL6550288 0.77 NFE2L2 (0.45) ADRB1LMNARAD52SMN1; SMN2
SCHEMBL6550745 0.75 SMN1; SMN2 (0.42) ADRB1SMN1; SMN2ADRB2ADRB3
SCHEMBL6550742 0.75 SMN1; SMN2 (0.42) ADRB1SMN1; SMN2ADRB2ADRB3

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