SCHEMBL9018702

SCHEMBL9018702

NC(N)=NC(=O)c1cc(C(F)(F)F)c(Br)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.44
SLC9A1 P19634 11/20 0.43
KCNH2 Q12809 1/20 0.43
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SLC9A2 Q9UBY0 1/20 0.36

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
SCHEMBL9018661 0.90 PLAU (0.44) PLAUSLC9A1KCNH2ADRA1DHTR2A
SCHEMBL8610545 0.89 NOTUM (0.47) PLAUSLC9A1KCNH2
SCHEMBL9018681 0.86 SLC9A1 (0.54) SLC9A1KCNH2
SCHEMBL9018687 0.84 SLC9A1 (0.41) PLAUSLC9A1KCNH2
SCHEMBL9018678 0.84 SLC9A1 (0.45) PLAUSLC9A1KCNH2SLC9A2
SCHEMBL9018731 0.82 SLC9A1 (0.42) PLAUSLC9A1KCNH2
SCHEMBL8613931 0.81 NOTUM (0.47) PLAUSLC9A1KCNH2
SCHEMBL8611003 0.79 NOTUM (0.48) SLC9A1KCNH2
SCHEMBL9018711 0.77 PLAU (0.41) PLAUSLC9A1KCNH2
SCHEMBL8612363 0.77 NOTUM (0.43) SLC9A1KCNH2

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