SCHEMBL8548321

SCHEMBL8548321

COC(=O)CSc1cc(-n2ncc(C(F)(F)F)cc2=O)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL8548951 0.90 POLB (0.43) PPOXKMT2AMEN1L3MBTL1TP53
SCHEMBL4678732 0.82 MAPK1 (0.40) PPOXKMT2AMEN1L3MBTL1PKM
SCHEMBL4682095 0.79 PKM (0.34) KMT2AMEN1L3MBTL1PKMLMNA
SCHEMBL4681755 0.78 PPOX (0.41) PPOXKMT2AMEN1L3MBTL1POLB
SCHEMBL4679256 0.77 MAPK1 (0.33) PPOXKMT2AMEN1L3MBTL1PKM
SCHEMBL6794821 0.77 PPOX (0.44) PPOXKMT2AL3MBTL1PKMNPSR1
SCHEMBL4678988 0.76 NPBWR1 (0.33) KMT2AMEN1L3MBTL1HPGDPKM
SCHEMBL5388413 0.75 GAA (0.37) KMT2AL3MBTL1HPGD
SCHEMBL4681493 0.74 PPOX (0.43) PPOXKMT2AMAPK1
SCHEMBL9037487 0.74 BCAT1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850227-A1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-01 EP disclosed