SCHEMBL3707004

SCHEMBL3707004

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 1/20 0.41
MAPT P10636 5/20 0.41
THRB P10828 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM1A O60341 1/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
NLRP3 Q96P20 1/20 0.39
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 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 0.80 NOX1 (0.54) MAPTHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL23728219 0.80 NOX1 (0.49) MAPTALDH1A1TSHRKDM4EMEN1
SCHEMBL23728221 0.80 NOX1 (0.49) MAPTALDH1A1TSHRKDM4EMEN1
SCHEMBL3706136 0.78 SMN1; SMN2 (0.42) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL30720835 0.77 CYP1B1 (0.42) GRK2MAPTTHRBSAE1UBA2
SCHEMBL23384891 0.75 CYP1B1 (0.41) GRK2MAPTTHRBSAE1UBA2
SCHEMBL3709908 0.74 GAA (0.45) ALDH1A1TSHRNLRP3KDM4EMEN1
SCHEMBL8590788 0.74 MAOA (0.49) MAPTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL24938717 0.73 MAPT (0.42) GRK2MAPTTHRBCYP1B1ALDH1A1
SCHEMBL11260465 0.71 MAPT (0.57) MAPTSAE1UBA2HTTALDH1A1

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