SCHEMBL10577166

SCHEMBL10577166

CC(C)Oc1cc(-n2c(=O)c(F)c(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPOX P50336 6/20 0.44
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRM4 Q14833 1/20 0.35
DHODH Q02127 8/20 0.33
KMO O15229 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
SCHEMBL10575119 0.92 PPOX (0.45) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL10575574 0.91 PPOX (0.43) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL10576797 0.86 PPOX (0.47) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL10577312 0.85 PPOX (0.44) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL10577214 0.85 PPOX (0.43) PPOXCYP1A2CYP2C19GRM4KMO
SCHEMBL10577441 0.82 PPOX (0.48) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL10579948 0.82 GRM4 (0.35) PPOXGRM4
SCHEMBL9706608 0.82 LMNA (0.33) PPOXMAPTGRM4DHODH
SCHEMBL9541517 0.82 PPOX (0.44) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL10577101 0.82 PPOX (0.44) PPOXMEN1NR1I2KMT2ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4859229-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1989-08-22 US disclosed
EP-0255047-A1 3-Aryl uraciles and their use as herbicides CIBA-GEIGY AG (CH) 1988-02-03 EP disclosed