SCHEMBL10352192

SCHEMBL10352192

CC(C)Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.53
MASP2 O00187 1/20 0.53
F2 P00734 1/20 0.53
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.47
HPD P32754 1/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46

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
SCHEMBL26218844 0.86 PDK1 (0.55) PDK1MASP2F2MAPTTDP1
SCHEMBL34420057 0.83 ALDH1A1 (0.57) MASP2F2MAPTTDP1ALDH1A1
SCHEMBL1632412 0.83 ALDH1A1 (0.57) MASP2F2MAPTTDP1ALDH1A1
SCHEMBL10980033 0.82 MAPT (0.61) MASP2F2MAPTTDP1ALDH1A1
SCHEMBL16914836 0.82 PDK1 (0.51) PDK1MASP2F2MAPTTDP1
SCHEMBL10352817 0.81 MASP2 (0.50) MASP2F2MAPTALDH1A1MAPK1
SCHEMBL14453659 0.80 MASP2 (0.54) MASP2F2MAPTTDP1ALDH1A1
SCHEMBL1136078 0.80 PDK1 (0.57) PDK1MAPTTDP1MAPK1LMNA
SCHEMBL4502024 0.80 MASP2 (0.57) MASP2F2MAPTTDP1ALDH1A1
SCHEMBL10665310 0.79 CYP1A2 (0.60) MASP2F2MAPTTDP1ALDH1A1

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