SCHEMBL11053019

SCHEMBL11053019

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1C[PH](=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
TTR P02766 1/20 0.64
PPOX P50336 1/20 0.64
FFAR1 O14842 3/20 0.47
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2A P28223 3/20 0.40
SLC6A4 P31645 3/20 0.40
KCNH2 Q12809 3/20 0.40
POLB P06746 2/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL10802698 0.90 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11043256 0.88 TDP1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10554944 0.87 MEN1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11047739 0.86 TDP1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10692395 0.86 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11262239 0.86 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11202007 0.85 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10966622 0.85 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11188320 0.85 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11200532 0.85 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX

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-4434108-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1984-02-28 US disclosed
EP-0043801-A2 2-Substituted 5-phenoxy-phenyl-phosphinic-acid derivatives with herbicidal activity, process for preparing them, herbicidal compositions containing them and use of these active substances and compositions CIBA-GEIGY AG (CH) 1982-01-13 EP disclosed