SCHEMBL7533766

SCHEMBL7533766

CCOC(=O)COc1cc(N)c(F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.56
GAA P10253 2/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40

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
SCHEMBL8599207 0.89 ALDH1A1 (0.51) PPOXGAAPKML3MBTL1TDP1
SCHEMBL2789871 0.87 GAA (0.55) PPOXGAAPKML3MBTL1TDP1
SCHEMBL8603144 0.87 ALDH1A1 (0.62) PPOXGAAPKML3MBTL1TDP1
SCHEMBL8598336 0.86 ALDH1A1 (0.57) PPOXGAAPKML3MBTL1TDP1
SCHEMBL8603307 0.86 LMNA (0.65) PPOXGAAL3MBTL1TDP1TSHR
SCHEMBL7561254 0.85 PPOX (0.53) PPOXGAAPKML3MBTL1TDP1
SCHEMBL8598863 0.82 TSHR (0.47) PPOXL3MBTL1TDP1TSHRLMNA
SCHEMBL8598548 0.82 LMNA (0.46) PPOXL3MBTL1TDP1TSHRLMNA
SCHEMBL8602970 0.82 MAPT (0.46) PPOXL3MBTL1TDP1TSHRLMNA
SCHEMBL8599627 0.81 PPOX (0.46) PPOXGAAPKML3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486866-A Pyrimidine diketone compound and preparation method and application thereof 贵州大学 2024-02-02 CN disclosed
CN-113200985-B Pteridinone compound and preparation method and application thereof 南开大学 2022-09-09 CN disclosed
CN-113200985-A Pteridinone compound and preparation method and application thereof 南开大学 2021-08-03 CN disclosed
CN-1262536-C Production of pyridazine herbicides SUMITOMO CHEMICAL CO (JP) 2006-07-05 CN disclosed
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
CN-1241175-A Production of pyridazine herbicides SUMITOMO CHEMICAL CO (JP) 2000-01-12 CN 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
EP-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 EP disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed