SCHEMBL7077848

SCHEMBL7077848

FC(F)(F)ONc1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
IDO1 P14902 1/20 0.32
APP P05067 1/20 0.32
EPHX2 P34913 2/20 0.31
MAPT P10636 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL31019388 0.81 KIF11 (0.40) HDAC1HDAC7HDAC8HDAC6EPHX2
SCHEMBL11404016 0.79 ALDH1A1 (0.35) IDO1MAPT
SCHEMBL17681696 0.77 CYP2A6 (0.36) CA1CA2IDO1MAPT
SCHEMBL6310114 0.77 MAPT (0.38) APPMAPT
SCHEMBL11415130 0.77 PDK1 (0.42) HDAC1HDAC7HDAC8HDAC6CA1
SCHEMBL742856 0.76 ALDH1A1 (0.39) HDAC1HDAC7HDAC8HDAC6IDO1
SCHEMBL9095755 0.74 GAA (0.52) CA1CA2APPMAPT
SCHEMBL31114495 0.67 PDK1 (0.36) HDAC1HDAC7HDAC8HDAC6EPHX2
SCHEMBL1310823 0.65 HDAC1 (0.67) TRPV1HDAC1HDAC7HDAC8HDAC6
SCHEMBL218036 0.64

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
EP-0984920-B1 NOVEL METHOD FOR PREPARING 2-TRIFLUORO-METHOXY-ANILINE RHODIA CHIMIE SA (FR) 2003-07-16 EP disclosed
US-6121492-A Method for preparing 2-trifluoro-methoxy-aniline RHODIA CHIMIE (FR) 2000-09-19 US disclosed
EP-0984920-A1 NOVEL METHOD FOR PREPARING 2-TRIFLUORO-METHOXY-ANILINE RHODIA CHIMIE (FR) 2000-03-15 EP disclosed
WO-1998054121-A1 NOVEL METHOD FOR PREPARING 2-TRIFLUORO-METHOXY-ANILINE RHODIA-CHIMIE (FR) 1998-12-03 WO disclosed