SCHEMBL7532202

SCHEMBL7532202

CC(C)Oc1cc(-n2ncc(C(F)(F)F)cc2=O)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 4/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NR1I2 O75469 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPBWR1 P48145 4/20 0.36
MCHR1 Q99705 3/20 0.36
GAA P10253 2/20 0.35
ATM Q13315 1/20 0.35
P2RX3 P56373 1/20 0.34
DHODH Q02127 4/20 0.34
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4680432 0.88 PPARG (0.41) PPOXDHODH
SCHEMBL6794821 0.87 PPOX (0.44) PPOXKMT2ANPBWR1MCHR1GAA
SCHEMBL4681493 0.87 PPOX (0.43) PPOXKMT2AGAAATMDHODH
SCHEMBL4681826 0.86 DHODH (0.34) PPOXKMT2AMEN1NR1I2TDP1
SCHEMBL4681716 0.85 PPOX (0.55) PPOXKMT2AMEN1GAAATM
SCHEMBL27520995 0.82 GAA (0.37) KMT2ANR1I2TDP1NPBWR1MCHR1
SCHEMBL31442437 0.81 PPOX (0.44) PPOXKMT2AMEN1NR1I2TDP1
SCHEMBL4679803 0.81 PPOX (0.44) PPOXKMT2AMEN1NR1I2TDP1
SCHEMBL8153591 0.80 GAA (0.36) KMT2AMEN1NPBWR1MCHR1GAA
SCHEMBL10460255 0.79 PPOX (0.46) PPOXKMT2AMEN1NR1I2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934254-B1 PRODUCTION OF PYRIDAZINE HERBICIDES SUMITOMO CHEMICAL CO (JP) 2002-04-17 EP disclosed
US-6333413-B1 PYRIDAZIN-3-ONE DERIVATIVES BY CYCLIZING THE CARBOXY-SUBSTITUTED HYDRAZONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-25 US disclosed
US-6156891-A Production of pyridazine herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-05 US disclosed
EP-0934254-A1 PRODUCTION OF PYRIDAZINE HERBICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-11 EP disclosed
WO-1998017632-A1 PRODUCTION OF PYRIDAZINE HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-30 WO disclosed