SCHEMBL10565477

SCHEMBL10565477

Cc1nn(-c2cc(OC(F)C(=O)O)c(Cl)cc2Cl)c(=O)n1C(F)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.54
DHODH Q02127 1/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1I2 O75469 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10569561 0.90 PPOX (0.53) PPOXDHODHHPGDMEN1KMT2A
SCHEMBL10689791 0.87 PPOX (0.51) PPOX
SCHEMBL10565171 0.86 PPOX (0.53) PPOXHPGDMEN1KMT2AALDH1A1
SCHEMBL10565776 0.84 PPOX (0.54) PPOXHPGDMEN1KMT2AALDH1A1
SCHEMBL10567227 0.83 PPOX (0.53) PPOX
SCHEMBL10566402 0.83 PPOX (0.50) PPOXDHODHHPGDALDH1A1KDM4E
SCHEMBL10568166 0.82 PPOX (0.49) PPOXDHODH
SCHEMBL10566640 0.82 DHODH (0.45) PPOXDHODH
SCHEMBL10565587 0.81 PPOX (0.48) PPOXDHODHCYP2C9CYP2C19
SCHEMBL5417601 0.80 PPOX (0.60) PPOX

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-4806145-A Herbicidal aryl triazolinones FMC CORPORATION (US) 1989-02-21 US disclosed