SCHEMBL8610045

SCHEMBL8610045

COC(=O)c1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-].NC(N)=NC(=O)c1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.48
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.37
CFTR P13569 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
LMNA P02545 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
SCHEMBL9018726 0.91 SLC9A1 (0.50) SLC9A1TDP1F2PRSS1PRSS2
SCHEMBL27386925 0.89 TDP1 (0.47) TDP1MAPTCFTRMEN1KMT2A
SCHEMBL8653264 0.87 SLC9A1 (0.41) SLC9A1MAPTCFTRMEN1KMT2A
SCHEMBL8610762 0.85 SLC9A1 (0.47) SLC9A1TDP1MEN1KMT2AF2
SCHEMBL8613944 0.83 MAPT (0.44) SLC9A1MAPTCFTRKCNH2
SCHEMBL8611156 0.81 SLC9A1 (0.47) SLC9A1MAPTCFTRKCNH2
SCHEMBL8612597 0.80 CFTR (0.48) SLC9A1TDP1MAPTCFTRMEN1
SCHEMBL8611424 0.78 SLC9A1 (0.39) SLC9A1MAPTCFTRKCNH2KDM4E
SCHEMBL8612355 0.77 TDP1 (0.47) SLC9A1TDP1MAPTMEN1KMT2A
SCHEMBL8608691 0.77 SLC9A1 (0.40) SLC9A1TDP1MAPTMEN1KMT2A

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
US-5747539-A Fluorine-containing benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed