SCHEMBL11240735

SCHEMBL11240735

CC(C)n1nc(-c2ccncc2)cc(C(=O)O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
GSK3B P49841 6/20 0.40
POLB P06746 1/20 0.40
KDM6B O15054 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP1 P29466 2/20 0.37
HTT P42858 1/20 0.37
MAPK14 Q16539 1/20 0.36
CDC7 O00311 1/20 0.36

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
SCHEMBL11246144 0.88 CASP1 (0.48) CASP1MAPK14CDC7
SCHEMBL11248350 0.84 KDM4E (0.45) ALDH1A1GSK3BPOLBKDM4ESMN1; SMN2
SCHEMBL11235489 0.82 CASP1 (0.55) ALDH1A1GAAGSK3BKDM4EHPGD
SCHEMBL25434631 0.81 HDAC6 (0.43) DHODHALDH1A1GAAGSK3BPOLB
SCHEMBL11235913 0.81 DHODH (0.46) DHODHALDH1A1GAAGSK3BKDM4E
SCHEMBL11247865 0.80 MAPT (0.41) DHODHALDH1A1GAAGSK3BKDM6B
SCHEMBL11257143 0.80 GSK3B (0.43) GSK3BPOLBCDC7
SCHEMBL11241884 0.79 MAPT (0.40) DHODHALDH1A1GAAGSK3BKDM6B
SCHEMBL11242584 0.78 AURKB (0.48) ALDH1A1GSK3BPOLBKDM4EHPGD
SCHEMBL11230958 0.78 PDE4B (0.43) DHODHALDH1A1GAAGSK3BKDM4C

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 4 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-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