SCHEMBL10946782

SCHEMBL10946782

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2F)cc1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ TTR P02766 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ PPOX P50336 1/20 0.56
▸ LMNA P02545 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSPB1 P04792 4/20 0.45
▸ MAPT P10636 5/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ MASP2 O00187 1/20 0.41
▸ F2 P00734 1/20 0.41

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
SCHEMBL10856476 0.88 MEN1 (0.56) MEN1KMT2ATTRTDP1PPOX
SCHEMBL10946853 0.88 MEN1 (0.56) MEN1KMT2ATTRTDP1PPOX
SCHEMBL7573114 0.86 MEN1 (0.73) MEN1KMT2ATTRTDP1PPOX
SCHEMBL11011515 0.85 MEN1 (0.53) MEN1KMT2ATTRTDP1PPOX
SCHEMBL38930 0.84 TDP1 (0.78) MEN1KMT2ATTRTDP1PPOX
SCHEMBL11271221 0.84 TTR (0.50) MEN1KMT2ATTRTDP1PPOX
SCHEMBL3642300 0.84 TDP1 (0.60) MEN1KMT2ATTRTDP1PPOX
SCHEMBL28965472 0.83 TDP1 (0.76) MEN1KMT2ATTRTDP1PPOX
SCHEMBL1902740 0.83 TDP1 (0.76) MEN1KMT2ATTRTDP1PPOX
Hydrochloric Acid SCHEMBL27554382 0.83 TDP1 (0.76) MEN1KMT2ATTRTDP1PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4556520-A HERBICIDES, INSECTICIDES ZOECON CORPORATION (US) 1985-12-03 — — US disclosed
US-4536355-A Phenoxyphenylaminoalkylphosphinates useful in weed control ZOECON CORPORATION (US) 1985-08-20 — — US disclosed
US-4456464-A Phenoxy- and pyridyloxy-phenoxyalkyl phosphinates and related sulfur compounds for weed control ZOECON CORPORATION (US) 1984-06-26 — — US disclosed
EP-0078536-A2 Phosphinates and phosphonates and their use in the control of weeds SANDOZ AG (CH) 1983-05-11 — — EP disclosed
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