SCHEMBL9018718

SCHEMBL9018718

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
MITF O75030 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
EIF4E P06730 1/20 0.36
PIM1 P11309 1/20 0.36
DHODH Q02127 1/20 0.35
THRB P10828 1/20 0.35
TXNRD1 Q16881 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8612355 0.93 TDP1 (0.47) SLC9A1MEN1KMT2ATDP1TTR
SCHEMBL3158027 0.81 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9018719 0.80 AKR1B1 (0.46) SLC9A1MEN1KMT2ATDP1TTR
SCHEMBL9018732 0.80 FFAR4 (0.40) SLC9A1KMT2APIM1
SCHEMBL9018694 0.79 SLC9A1 (0.44) SLC9A1
SCHEMBL16961592 0.78 MEN1 (0.43) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9018736 0.78 SLC9A1 (0.40) SLC9A1ALDH1A1LMNA
SCHEMBL9018712 0.78 SLC9A1 (0.47) SLC9A1MEN1KMT2ATDP1TTR
SCHEMBL8612597 0.77 CFTR (0.48) SLC9A1MEN1KMT2ATDP1TTR
SCHEMBL9018666 0.77 PIM1 (0.40) SLC9A1KMT2APIM1

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