SCHEMBL8574385

SCHEMBL8574385

O=C(O)c1nc2cccc(Cl)c2c(O)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.49
DYRK1A Q13627 6/20 0.48
CDK9 P50750 5/20 0.48
DYRK2 Q92630 3/20 0.48
DYRK1B Q9Y463 3/20 0.48
CLK1 P49759 1/20 0.48
CDK5 Q00535 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DPP4 P27487 1/20 0.41
ELANE P08246 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL10416744 0.86 DHODH (0.50) DHODHDYRK1ACDK9DYRK2DYRK1B
SCHEMBL626362 0.86 DYRK1A (0.49) DHODHDYRK1ACDK9DYRK2DYRK1B
Water SCHEMBL25347465 0.84 DYRK1A (0.48) DHODHDYRK1ACDK9DYRK2DYRK1B
SCHEMBL8569839 0.81 AKR1C4 (0.42) DHODHDYRK1ACDK9DYRK2DYRK1B
SCHEMBL8574209 0.81 DHODH (0.54) DHODHALDH1A1KMT2AKDM4ETSHR
SCHEMBL8570949 0.81 DYRK1A (0.48) DHODHDYRK1ACDK9DYRK2DYRK1B
SCHEMBL30533438 0.80 DYRK1A (0.47) DHODHDYRK1ACDK9DYRK2DYRK1B
SCHEMBL27903743 0.80 DYRK1A (0.44) DHODHDYRK1ACDK9DYRK2DYRK1B
SCHEMBL8572609 0.79 ALDH1A1 (0.43) DHODHALDH1A1KMT2AKDM4EMEN1
SCHEMBL8570856 0.79 DHODH (0.40) DHODHDYRK1ACDK9DYRK2DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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