SCHEMBL3713072

SCHEMBL3713072

CC(=O)CC(=O)C=NNc1ccc(NC(C)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA12 O43570 1/20 0.46
BRD4 O60885 1/20 0.46
NR1I2 O75469 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MB P02144 1/20 0.46
CYP1A1 P04798 1/20 0.46
CA3 P07451 1/20 0.46
CYP3A4 P08684 1/20 0.46
RARG P13631 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL23728221 0.83 NOX1 (0.49) NOX1KMT2AALDH1A1MAPTMEN1
SCHEMBL23728219 0.83 NOX1 (0.49) NOX1KMT2AALDH1A1MAPTMEN1
SCHEMBL3706136 0.81 SMN1; SMN2 (0.42) NOX1SMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL3707004 0.80 GRK2 (0.41) SMN1; SMN2HTTKMT2AALDH1A1MAPT
SCHEMBL18731917 0.73 NOX1 (0.56) NOX1SMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL861674 0.72 SMN1; SMN2 (0.84) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL6204592 0.71 MAPT (0.67) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL10027943 0.69 NOX1 (0.47) NOX1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL7490760 0.69 MAPT (0.48) NOX1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL10027944 0.69 MAPT (0.42) SMN1; SMN2L3MBTL1KMT2AALDH1A1MAPT

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