SCHEMBL3709908

SCHEMBL3709908

CC(=O)CC(=O)C=NNc1ccccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
CRHR1 P34998 4/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NLRP3 Q96P20 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3707004 0.74 GRK2 (0.41) GAATSHRALDH1A1KDM4ENLRP3
SCHEMBL23728221 0.74 NOX1 (0.49) GAATSHRALDH1A1KDM4EMEN1
SCHEMBL23728219 0.74 NOX1 (0.49) GAATSHRALDH1A1KDM4EMEN1
SCHEMBL518606 0.72 CRHR1 (0.59) GAACRHR1TSHRL3MBTL1ALDH1A1
SCHEMBL11862777 0.70 NFE2L2 (0.49) GAATSHRL3MBTL1ALDH1A1
SCHEMBL11862765 0.70 NFE2L2 (0.49) GAATSHRL3MBTL1ALDH1A1
SCHEMBL1084996 0.69 L3MBTL1 (0.63) GAATSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL29769835 0.69 L3MBTL1 (0.63) GAATSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL7648356 0.66 GAA (0.61) GAACRHR1TSHRL3MBTL1ALDH1A1
SCHEMBL3713072 0.66 NOX1 (0.54) TSHRL3MBTL1ALDH1A1KDM4ETDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102365020-B Pyridazinone compounds TAKEDA PHARMACEUTICAL 2014-07-30 CN disclosed
EP-2393360-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-12-14 EP disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 WO disclosed