SCHEMBL9200401

SCHEMBL9200401

Oc1cccc2c1OC(c1ccccc1)=CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
BCL2L1 Q07817 2/20 0.34
HPGD P15428 2/20 0.34
BAD Q92934 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPKAPK2 P49137 1/20 0.32
CHUK O15111 1/20 0.32
CASP3 P42574 1/20 0.32
TXNRD1 Q16881 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
BACE1 P56817 1/20 0.31
MEN1 O00255 3/20 0.30

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
SCHEMBL26013837 0.82 GNG2 (0.33) ALDH1A1HSD17B10HPGDMAPK1SMN1; SMN2
SCHEMBL17237772 0.80 HNF4A (0.39) ALDH1A1HPGDMAPK1SMN1; SMN2MAPT
SCHEMBL6874304 0.77 MAPKAPK2 (0.35) ALDH1A1HSD17B10BCL2L1HPGDBAD
SCHEMBL29577247 0.75 DRD2 (0.35) ALDH1A1HSD17B10BCL2L1HPGDBAD
SCHEMBL667761 0.73 MAOA (0.45) ALDH1A1HSD17B10HPGDMAPK1SMN1; SMN2
SCHEMBL29438383 0.73 MAOA (0.45) ALDH1A1HSD17B10HPGDMAPK1SMN1; SMN2
SCHEMBL311687 0.68 MAOB (0.39) BCL2L1MEN1MAPTKMT2ALMNA
SCHEMBL6507292 0.68 ALDH1A1 (0.48) ALDH1A1HSD17B10BCL2L1HPGDBAD
SCHEMBL9672093 0.67 ABCC4 (0.34) ALDH1A1HSD17B10HPGDSMN1; SMN2MAPT
Biphenyl SCHEMBL15111097 0.65 HDAC4 (0.45) ALDH1A1HSD17B10BCL2L1HPGDHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430693-B1 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS (JP) 1995-05-31 EP disclosed
US-5114941-A PYRIMIDINEDIONE DERIVATIVE COMPOUNDS, METHOD FOR PREPARING SAME, AND ANTIARRYTHMIC AGENTS CONTAINING SAME MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-19 US disclosed
EP-0430693-A2 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-06-05 EP disclosed