SCHEMBL11242820

SCHEMBL11242820

CC(C)N1N=C(c2ccncc2)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 4/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
LMNA P02545 1/20 0.37
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
BCHE P06276 1/20 0.36
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL25407404 0.83 HRH3 (0.48) HRH3GAATDP1TP53LMNA
SCHEMBL11394634 0.81 HRH3 (0.47) HRH3GAATDP1TP53LMNA
SCHEMBL11236462 0.78 PDE4A (0.50) HRH3GAAPKN1PKN2CYP19A1
SCHEMBL11244877 0.77 PDE4B (0.52) TP53LMNARAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL11238842 0.77 PDE4A (0.49) HRH3GAAPKN1PKN2CYP19A1
SCHEMBL11242158 0.75 TP53 (0.46) TP53LMNARAB9AMEN1KMT2A
SCHEMBL11247165 0.74 PDE4B (0.43) TP53LMNARAB9AMEN1KMT2A
SCHEMBL20159466 0.73 NAMPT (0.62)
SCHEMBL1640636 0.73 PDE4A (0.43) HRH3GAAPDE4B
SCHEMBL11242032 0.72 PDE4B (0.51) TP53PKN1PKN2LMNAMEN1

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