SCHEMBL11242297

SCHEMBL11242297

O=c1ccc(-c2ccncc2)nn1CCCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ TP53 P04637 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ PDE4A P27815 4/20 0.43
▸ PDE4B Q07343 4/20 0.43
▸ PDE4C Q08493 4/20 0.43
▸ PDE4D Q08499 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ USP2 O75604 1/20 0.40

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
SCHEMBL11249160 0.95 MAPT (0.48) MAPTTP53THRBPDE4APDE4B
SCHEMBL11245497 0.89 MAPT (0.50) MAPTTP53THRBKDM4EHTT
SCHEMBL11237930 0.84 HSD17B10 (0.50) MAPTTP53THRBPDE4APDE4B
SCHEMBL11397294 0.83 HDAC1 (0.52) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL11240019 0.81 AURKB (0.43) MAPTTP53THRBHDAC1
SCHEMBL11232521 0.80 MAPT (0.50) MAPTTP53THRBKDM4EHTT
SCHEMBL11246807 0.79 DHODH (0.40) MAPTTP53THRBKDM4EHTT
SCHEMBL11242717 0.78 CASP1 (0.44) MAPTHSD17B10HDAC1
SCHEMBL23479875 0.77 KDM4E (0.48) MAPTTP53THRBKDM4EHTT
SCHEMBL4061176 0.76 MAPT (0.52) MAPTTP53THRBKDM4EHTT

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
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