SCHEMBL9018736

SCHEMBL9018736

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
PLAU P00749 1/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL8608691 0.92 SLC9A1 (0.40) SLC9A1LMNAALDH1A1
SCHEMBL9018712 0.85 SLC9A1 (0.47) SLC9A1LMNA
SCHEMBL9018721 0.83 PLAU (0.41) SLC9A1PLAU
SCHEMBL9018711 0.83 PLAU (0.41) SLC9A1PLAU
SCHEMBL16528351 0.82 MEN1 (0.41) LMNA
SCHEMBL9018731 0.81 SLC9A1 (0.42) SLC9A1PLAULMNAALDH1A1
SCHEMBL9018682 0.80 SLC9A1 (0.46) SLC9A1
SCHEMBL8610762 0.79 SLC9A1 (0.47) SLC9A1LMNA
SCHEMBL24616176 0.79 POLB (0.41) LMNAALDH1A1
SCHEMBL9018718 0.78 SLC9A1 (0.41) SLC9A1LMNAALDH1A1

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