SCHEMBL9616205

SCHEMBL9616205

O=[N+]([O-])c1cc(Cl)c(OCC(F)(F)F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 2/20 0.41
HIF1A Q16665 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
PTGES O14684 3/20 0.37
MPI P34949 2/20 0.37
PHOSPHO1 Q8TCT1 2/20 0.37
PMM2 O15305 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TTR P02766 1/20 0.37
PPOX P50336 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL32681480 0.86 PTGES (0.42) TDP1ALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL6566114 0.84 S1PR4 (0.41) TDP1ALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL5563833 0.84 MAPT (0.46) TDP1ALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL20987127 0.82 ALDH1A1 (0.56) TDP1ALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL6565237 0.81 MEN1 (0.52) TDP1ALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL24696926 0.78 VCAM1 (0.38) TDP1ALDH1A1ALOX15HIF1AHPGD
SCHEMBL30892384 0.78 VCAM1 (0.38) TDP1ALDH1A1ALOX15HIF1AHPGD
SCHEMBL13334920 0.78 S1PR4 (0.44) ALDH1A1CYP3A4HPGDMEN1KMT2A
SCHEMBL30781060 0.77 SCN9A (0.45)
SCHEMBL27267925 0.77 SCN9A (0.45)

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-5132325-A BENZOYLPHENYLUREAS THE PREPARATION THEREOF AND THE USE THEREOF IN PEST CONTROL CIBA-GEIGY CORPORATION (US) 1992-07-21 US disclosed