SCHEMBL8612355

SCHEMBL8612355

COC(=O)c1cc(OC(F)(F)F)ccc1[N+](=O)[O-].NC(N)=NC(=O)c1cc(OC(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
SIRT6 Q8N6T7 1/20 0.42
SLC9A1 P19634 4/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MITF O75030 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
CASP3 P42574 1/20 0.37
HTT P42858 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
TTR P02766 1/20 0.37
PPOX P50336 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
THRB P10828 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
TXNRD1 Q16881 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
SCHEMBL9018718 0.93 SLC9A1 (0.41) TDP1SLC9A1MEN1KMT2AMITF
SCHEMBL8612597 0.85 CFTR (0.48) TDP1SIRT6SLC9A1MEN1KMT2A
SCHEMBL8608691 0.82 SLC9A1 (0.40) TDP1SIRT6SLC9A1MEN1KMT2A
SCHEMBL8610762 0.82 SLC9A1 (0.47) TDP1SIRT6SLC9A1MEN1KMT2A
SCHEMBL8610122 0.80 SLC9A1 (0.40) SLC9A1MRGPRX4
SCHEMBL8610216 0.80 MRGPRX4 (0.39) SLC9A1KMT2AALDH1A1MRGPRX4
SCHEMBL8614188 0.78 MRGPRX4 (0.40) SLC9A1KMT2AMRGPRX4
SCHEMBL8614095 0.78 MRGPRX4 (0.38) SLC9A1MRGPRX4
SCHEMBL7688039 0.78 MEN1 (0.45) TDP1SIRT6MEN1KMT2AMITF
SCHEMBL8611570 0.78 CFTR (0.40) KMT2AALDH1A1MRGPRX4

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