SCHEMBL10733657

SCHEMBL10733657

CCc1cccc(OC(F)(F)F)c1N(Cn1cccn1)C(=O)CCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
TDP1 Q9NUW8 2/20 0.42
NR1I2 O75469 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 3/20 0.37
THRB P10828 2/20 0.37
TEAD1 P28347 1/20 0.34
TEAD4 Q15561 1/20 0.34
TEAD2 Q15562 1/20 0.34
TEAD3 Q99594 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NTRK1 P04629 1/20 0.32
KCNN3 Q9UGI6 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL10732595 0.91 TP53 (0.42) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL10736975 0.90 TP53 (0.42) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL10730497 0.88 TP53 (0.43) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL9367287 0.86 TP53 (0.56) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL10732053 0.86 TP53 (0.45) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL10732674 0.85 TP53 (0.44) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL8530433 0.84 TP53 (0.44) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL10733931 0.82 TP53 (0.40) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL8433228 0.82 TP53 (0.59) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL10729630 0.81 TP53 (0.40) TP53TDP1NR1I2ALDH1A1CYP3A4

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-4659365-A Herbicidal 2-chloro-2'-fluoroalkoxyacetanilides MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1987-04-21 US disclosed