SCHEMBL9018722

SCHEMBL9018722

NC(N)=NC(=O)c1cc(OC(F)(F)F)c(Cl)cc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.45
MC4R P32245 1/20 0.37
KCNH2 Q12809 1/20 0.37
PNLIP P16233 1/20 0.36
SCN9A Q15858 1/20 0.35
EPHX1 P07099 1/20 0.35
PLAU P00749 1/20 0.35

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
SCHEMBL9018667 0.87 SLC9A1 (0.46) SLC9A1
SCHEMBL9018720 0.84 SLC9A1 (0.41) SLC9A1
SCHEMBL9018712 0.83 SLC9A1 (0.47) SLC9A1
SCHEMBL9018721 0.82 PLAU (0.41) SLC9A1MC4RKCNH2PLAU
SCHEMBL8609863 0.81 SLC9A1 (0.40) SLC9A1
SCHEMBL9018698 0.79 SLC9A1 (0.40) SLC9A1KCNH2PLAU
SCHEMBL8612510 0.78 SLC9A1 (0.37) SLC9A1
SCHEMBL8610762 0.77 SLC9A1 (0.47) SLC9A1
SCHEMBL9018711 0.77 PLAU (0.41) SLC9A1MC4RKCNH2PLAU
SCHEMBL8609018 0.75 SLC9A1 (0.36) SLC9A1MC4RKCNH2PLAU

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-0743301-A2 Benzoylguanidines containing fluorine MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed