SCHEMBL3706136

SCHEMBL3706136

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 11/20 0.42
RAB9A P51151 11/20 0.42
GAA P10253 10/20 0.42
MAPT P10636 8/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MITF O75030 2/20 0.42
HPGD P15428 2/20 0.42
NOS1 P29475 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GFER P55789 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 4/20 0.38
NOX1 Q9Y5S8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL3713072 0.81 NOX1 (0.54) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL23728221 0.81 NOX1 (0.49) ALDH1A1MAPK1NPC1RAB9AGAA
SCHEMBL23728219 0.81 NOX1 (0.49) ALDH1A1MAPK1NPC1RAB9AGAA
SCHEMBL3707004 0.78 GRK2 (0.41) SMN1; SMN2ALDH1A1MAPK1RAB9AGAA
SCHEMBL5239605 0.73 GAA (0.51) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL2568204 0.70 CA1 (0.60) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL518614 0.69 NOS1 (0.46) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL6740486 0.69 NOS1 (0.48) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL1803092 0.68 ADRA2A (0.53) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL10027943 0.67 NOX1 (0.47) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A

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