SCHEMBL11045839

SCHEMBL11045839

O=[N+]([O-])c1cccc(OC(Cl)C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
TSHR P16473 5/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
TP53 P04637 2/20 0.43
HGFAC Q04756 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ACHE P22303 1/20 0.41
ALOX15 P16050 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
SCHEMBL6197458 0.79 TSHR (0.55) F2TSHRLMNAALDH1A1TDP1
SCHEMBL12678278 0.77 F2 (0.56) F2TSHRLMNAALDH1A1CHRNB2
SCHEMBL3010141 0.77 TP53 (0.50) F2TSHRLMNAALDH1A1TDP1
SCHEMBL10909455 0.76 TSHR (0.52) F2TSHRLMNAALDH1A1TDP1
SCHEMBL29469269 0.76 KMT2A (0.58) F2TSHRLMNAALDH1A1TDP1
SCHEMBL7671999 0.76 TSHR (0.55) F2TSHRLMNAALDH1A1TDP1
SCHEMBL1130974 0.76 KMT2A (0.58) F2TSHRLMNAALDH1A1TDP1
SCHEMBL9190260 0.75 TSHR (0.50) F2TSHRLMNAALDH1A1TDP1
SCHEMBL2564894 0.75 SLC6A2 (0.49) F2TSHRLMNAALDH1A1TDP1
SCHEMBL7937746 0.74 F2 (0.60) F2TSHRLMNAALDH1A1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0052473-B1 N-SUBSTITUTED PHENYL-1-METHYLCYCLOPROPANECARBOXAMIDES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-22 EP disclosed
US-4447260-A N-Substituted phenyl-1-methylcyclopropanecarboxamides, and their herbicidal use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-08 US disclosed
EP-0052473-A2 N-Substituted phenyl-1-methylcyclopropanecarboxamides, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-05-26 EP disclosed