SCHEMBL11240512

SCHEMBL11240512

O=C1CCC(c2ccncc2)=NN1CCCO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.52
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 3/20 0.42
MAPK14 Q16539 1/20 0.41
TP53 P04637 1/20 0.40
PGR P06401 1/20 0.40
POLB P06746 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
SCHEMBL11242218 0.96 PDE4B (0.48) PDE4BKMT2AALDH1A1THRBMEN1
SCHEMBL11238845 0.91 KMT2A (0.45) PDE4BKMT2AALDH1A1THRBMEN1
SCHEMBL11242345 0.83 PDE3B (0.51) PDE4BKMT2AALDH1A1THRBMEN1
SCHEMBL11242032 0.82 PDE4B (0.51) PDE4BKMT2AALDH1A1THRBMEN1
SCHEMBL11397127 0.80 PDE4B (0.49) PDE4BKMT2AALDH1A1THRBMEN1
SCHEMBL11247165 0.79 PDE4B (0.43) PDE4BKMT2AALDH1A1THRBMEN1
SCHEMBL11149657 0.78 KMT2A (0.58) KMT2AALDH1A1THRBMEN1SMN1; SMN2
SCHEMBL11242158 0.76 TP53 (0.46) PDE4BKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL11244877 0.75 PDE4B (0.52) PDE4BKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL11400866 0.75 KMT2A (0.56) PDE4BKMT2AALDH1A1THRBMEN1

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 5 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-4304777-A 6-(Pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-08 US disclosed