SCHEMBL8569494

SCHEMBL8569494

COC(=O)c1nc2ccccc2c(O)c1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 4/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
RNASEH1 O60930 1/20 0.46
ERCC1 P07992 1/20 0.46
FEN1 P39748 1/20 0.46
ERCC4 Q92889 1/20 0.46
STAT3 P40763 1/20 0.45
HIF1A Q16665 1/20 0.45
TSHR P16473 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 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
SCHEMBL28958009 0.87 MEN1 (0.63) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL6079707 0.83 KDM4E (0.48) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL8574356 0.83 HSD17B10 (0.55) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL30641227 0.83 KDM4E (0.55) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL8569908 0.83 KDM4E (0.55) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL26674806 0.83 KDM4E (0.55) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL6604573 0.83 MEN1 (0.41) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL6364172 0.82 MAPT (0.41) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL8574096 0.81 KDM4E (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL28342069 0.80 KDM4E (0.54) MEN1KMT2AKDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101781247-B New method for synthesizing substituted 3-quinoline carboxylic acid and analogue UNIV SHANGHAI MARITIME 2013-01-02 CN disclosed
CN-101781247-A New method for synthesizing substituted 3-quinoline carboxylic acid and analogue UNIV SHANGHAI MARITIME 2010-07-21 CN disclosed
US-5739133-A N-ACYLATED AND ALKYLATED DERIVATIVES OF PYRIDAZINO(4,5-B)-QUINOLINES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS; STROKES; ANTIISCHEMIC AND HYPOGLYCEMIC AGENTS; PSYCHOSIS; NEUROGODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5733910-A Pyridazinedione compounds useful in the treating neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-03-31 US disclosed
US-5604227-A EXCITATORY AMINO ACID ANTAGONIST; MONO, DI OR TRI-ACETYLATION OR ALKYLATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-02-18 US disclosed
US-5599814-A SUBSTITUTED PYRIDAZINO(4,5-B)QUINOLINES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-02-04 US disclosed
EP-0516297-B1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LTD (GB) 1996-10-30 EP disclosed
EP-0516297-A1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LIMITED (GB) 1992-12-02 EP disclosed