SCHEMBL5230660

SCHEMBL5230660

N#Cc1ccc(-c2cc(C(=O)NCCCCC(=O)O)c(=O)[nH]n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.44
HDAC1 Q13547 10/20 0.44
HDAC4 P56524 9/20 0.44
HDAC7 Q8WUI4 9/20 0.44
HDAC2 Q92769 9/20 0.44
HDAC10 Q969S8 9/20 0.44
HDAC11 Q96DB2 9/20 0.44
HDAC8 Q9BY41 9/20 0.44
HDAC6 Q9UBN7 9/20 0.44
HDAC9 Q9UKV0 9/20 0.44
HDAC5 Q9UQL6 9/20 0.44
NCOR2 Q9Y618 4/20 0.44
GSK3B P49841 3/20 0.42

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
SCHEMBL8948994 0.82 ITGB3 (0.55) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL8949190 0.80 PHGDH (0.43) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL7277324 0.78 CASP1 (0.46)
SCHEMBL13986939 0.73 GSK3B (0.59) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL8948996 0.72 ITGB3 (0.43) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL7275356 0.71 KDM4E (0.51)
SCHEMBL4857434 0.71 GSK3B (0.59) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL13986954 0.70 GSK3B (0.55) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL7286517 0.69 TRPA1 (0.38) GSK3B
SCHEMBL15577629 0.69 NOTUM (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP claimed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP claimed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed