SCHEMBL10352011

SCHEMBL10352011

CCCCCCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
PLA2G4B P0C869 1/20 0.47
AR P10275 4/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TLR4 O00206 1/20 0.43
TLR2 O60603 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
SCHEMBL10352194 0.96 MAPT (0.56) MAPTTHRATHRBARALDH1A1
SCHEMBL13481164 0.91 MAPT (0.63) MAPTARALDH1A1LMNA
SCHEMBL15923825 0.82 MAPT (0.56) MAPTTHRATHRBPLA2G4BALDH1A1
SCHEMBL5460796 0.82 AR (0.47) MAPTARALDH1A1LMNA
SCHEMBL9277559 0.82 MAPT (0.61) MAPTPLA2G4BALDH1A1LMNATLR4
SCHEMBL6716948 0.82 CHRNB2 (0.54) MAPTTHRATHRBAR
SCHEMBL1608924 0.81 MAPT (0.69) MAPTPLA2G4BALDH1A1LMNA
SCHEMBL1608515 0.81 MAPT (0.69) MAPTPLA2G4BALDH1A1LMNA
SCHEMBL16153093 0.81 MAPT (0.69) MAPTPLA2G4BALDH1A1LMNA
Hydrochloric Acid SCHEMBL7327415 0.80 TMEM97 (0.51) ALDH1A1

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
EP-0300390-B1 TRIFLUOROMETHYL-ALKOXY-ANILIN, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE ICE-COLOUR TECHNIQUE HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed
EP-0300390-A1 Trifluoromethyl-alkoxy-anilin, process for their preparation and their use in the ice-colour technique HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-25 EP disclosed