SCHEMBL11705641

SCHEMBL11705641

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.56
TSHR P16473 6/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 6/20 0.50
ACHE P22303 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 1/20 0.46
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
CES2 O00748 1/20 0.43

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
SCHEMBL11214966 0.86 PTPRC (0.59) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL9734076 0.82 PTPRC (0.63) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL3081516 0.82 TSHR (0.61) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL31496742 0.82 PTPRC (0.63) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL179286 0.82 PTPRC (0.63) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL14744311 0.80 PTPRC (0.61) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL28549165 0.80 PTPRC (0.61) PTPRCTSHRLMNAALDH1A1ACHE
Dinitrophenylene SCHEMBL27624202 0.79 TSHR (0.85) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL5804180 0.79 PTPRC (0.56) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL14292542 0.79 PTPRC (0.59) PTPRCTSHRLMNAALDH1A1ACHE

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-4064239-A LIVER FLUKES MERCK & CO., INC. (US) 1977-12-20 US disclosed