SCHEMBL11242345

SCHEMBL11242345

CCCCCCN1N=C(c2ccncc2)CCC1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
PDE4B Q07343 2/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
CYP19A1 P11511 12/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11242032 0.89 PDE4B (0.51) PDE3BPDE3APDE4BALDH1A1THRB
SCHEMBL11242218 0.85 PDE4B (0.48) PDE3BPDE3APDE4BALDH1A1THRB
SCHEMBL11240512 0.83 PDE4B (0.52) PDE4BALDH1A1THRBMEN1KMT2A
SCHEMBL11247165 0.83 PDE4B (0.43) PDE3BPDE3APDE4BALDH1A1THRB
SCHEMBL11238845 0.80 KMT2A (0.45) PDE4BALDH1A1MAPTTHRBMEN1
SCHEMBL11397250 0.78 PDE3B (0.48) PDE3BPDE3APDE4BALDH1A1THRB
SCHEMBL11244877 0.76 PDE4B (0.52) PDE4BALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11236462 0.75 PDE4A (0.50) PDE3BPDE3APDE4BGAACYP19A1
Hydrochloric Acid SCHEMBL11238842 0.73 PDE4A (0.49) PDE3BPDE3APDE4BGAACYP19A1
SCHEMBL11163923 0.72 KMT2A (0.52) PDE3BPDE3APDE4BALDH1A1THRB

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-4346221-A Preparation of 4-amino-6-(pyridinyl)-3(2H)-pyridazinones from 6-(pyridinyl)-3(2H)-pyridazinones STERLING DRUG INC. (US) 1982-08-24 US disclosed
US-4338446-A Di-(lower-alkyl)hydroxy-[2-oxo-2-(pyridinyl)ethyl]-propanedioates STERLING DRUG INC. (US) 1982-07-06 US disclosed
US-4337253-A 4,5-Dihydro-2-methyl-6-(4-pyridinyl)-3(2H)-pyridazinone and its use as a cardiotonic STERLING DRUG INC. (US) 1982-06-29 US disclosed
US-4305943-A 4-Amino-6-(pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-15 US disclosed
US-4304776-A 4-Substituted-6-(pyridinyl)-3(2h)-pyridazinones and their use as intermediates and cardiotonics STERLING DRUG INC. (US) 1981-12-08 US disclosed
US-4304777-A 6-(Pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-08 US disclosed