SCHEMBL5014138

SCHEMBL5014138

FC(F)C(F)(F)C(F)(F)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
HIF1A Q16665 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.36
CYP2A6 P11509 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX3 P56373 1/20 0.33
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
MIF P14174 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL5401000 0.80 LMNA (0.50) CYP19A1TSHRMAPK1HIF1AMEN1
SCHEMBL10578903 0.79 KCNN4 (0.35) CYP19A1MAPK1
SCHEMBL320071 0.77 ESR1 (0.48) TSHRHIF1AMEN1KMT2ALMNA
SCHEMBL10821951 0.77 TRPV4 (0.31)
SCHEMBL6516942 0.77 CA1 (0.41) CYP2A6
SCHEMBL3146868 0.77 KIF11 (0.46) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL7870012 0.76 TSHR (0.48) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL5238555 0.75 CYP19A1 (0.45) CYP19A1TSHRMAPK1HIF1AMEN1
SCHEMBL6864521 0.75 ALDH1A1 (0.38) CYP19A1TSHRMAPK1MEN1KMT2A
SCHEMBL16626263 0.73 CYP19A1 (0.50) CYP19A1TSHRMAPK1HIF1AMEN1

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-1603182-B1 Membrane electrode assembly and polymer electrolyte fuel cell comprising the same HONDA MOTOR CO LTD (JP) 2008-09-10 EP disclosed
EP-1603182-A1 Membrane electrode assembly and polymer electrolyte fuel cell comprising the same HONDA MOTOR CO., Ltd. (JP) 2005-12-07 EP disclosed
US-6515101-B1 A polymer essentially of units of aromatic-based compounds, at least one of said aromatic-based compounds being substituted with at least one CF3 group, wherein said units are in the backbone of said polymer and do not contain elements other IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2003-02-04 US disclosed