SCHEMBL4685244

SCHEMBL4685244

Cc1c(C(F)(F)F)cnn(-c2cc(CC(O)=S)c(Cl)cc2F)c1=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.32
COMT P21964 1/20 0.31
NPBWR1 P48145 1/20 0.31

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
SCHEMBL4677777 0.89 NPBWR1 (0.33) P2RX7COMTNPBWR1
SCHEMBL4677636 0.89 NPC1 (0.32) P2RX7COMTNPBWR1
SCHEMBL4678151 0.81 COMT (0.40) P2RX7COMTNPBWR1
SCHEMBL31448215 0.81 NOTUM (0.37) COMT
SCHEMBL4681846 0.81 NOTUM (0.37) COMT
SCHEMBL4681813 0.80 GAA (0.33) COMT
SCHEMBL4677931 0.80 CCR1 (0.33)
SCHEMBL8570147 0.80 GAA (0.33) COMTNPBWR1
SCHEMBL4679224 0.80 P2RX7 (0.33) P2RX7
SCHEMBL14303096 0.80 PPOX (0.38) COMTNPBWR1

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