SCHEMBL4679224

SCHEMBL4679224

O=c1cc(C(F)(F)F)cnn1-c1cc(CC(O)=S)c(Cl)cc1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.33
GAA P10253 2/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 1/20 0.32
PLAU P00749 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4678988 0.87 NPBWR1 (0.33) P2RX7GAAATMALDH1A1KMT2A
SCHEMBL4681745 0.86 MEN1 (0.37) GAAATMALDH1A1KMT2AMAPT
SCHEMBL5388413 0.80 GAA (0.37) GAAATMALDH1A1KMT2APLAU
SCHEMBL4685244 0.80 P2RX7 (0.32) P2RX7
SCHEMBL31448207 0.79 SORT1 (0.37) GAAATMKMT2APLAUMAPT
SCHEMBL4062616 0.79 SORT1 (0.37) GAAATMKMT2APLAUMAPT
SCHEMBL4679229 0.78 GAA (0.38) GAAATMALDH1A1KMT2APLAU
SCHEMBL4683040 0.78 GAA (0.34) GAAATMALDH1A1KMT2AKDM4E
SCHEMBL27520995 0.74 GAA (0.37) GAAATMALDH1A1KMT2AKDM4E
SCHEMBL6794821 0.74 PPOX (0.44) GAAATMALDH1A1KMT2AMAPT

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-B1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2008-01-09 EP claimed