SCHEMBL9018712

SCHEMBL9018712

NC(N)=NC(=O)c1cc(OC(F)(F)F)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.47
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
PPOX P50336 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
HGFAC Q04756 1/20 0.34
MAPT P10636 1/20 0.33
APLNR P35414 1/20 0.33
KMO O15229 1/20 0.33

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
SCHEMBL8610762 0.92 SLC9A1 (0.47) SLC9A1MEN1TTRPPOXKMT2A
SCHEMBL9018736 0.85 SLC9A1 (0.40) SLC9A1LMNA
SCHEMBL9018722 0.83 SLC9A1 (0.45) SLC9A1
SCHEMBL9018726 0.81 SLC9A1 (0.50) SLC9A1TDP1F2PRSS1PRSS2
SCHEMBL9018667 0.80 SLC9A1 (0.46) SLC9A1
SCHEMBL8608691 0.79 SLC9A1 (0.40) SLC9A1MEN1KMT2ATDP1LMNA
SCHEMBL9018718 0.78 SLC9A1 (0.41) SLC9A1MEN1TTRPPOXKMT2A
SCHEMBL9018720 0.77 SLC9A1 (0.41) SLC9A1
SCHEMBL8610045 0.76 SLC9A1 (0.48) SLC9A1MEN1KMT2ATDP1LMNA
SCHEMBL21066355 0.74 ALDH1A1 (0.41) MEN1TTRPPOXKMT2ATDP1

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