SCHEMBL3676966

SCHEMBL3676966

FC(F)(c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)c3cccc(Br)c3)cc2)cc1)C(F)(F)C(F)(F)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
SLC6A4 P31645 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ATM Q13315 1/20 0.36
PGR P06401 2/20 0.35
THRB P10828 1/20 0.35
MAPK14 Q16539 2/20 0.34
TLR8 Q9NR97 2/20 0.34
NR3C1 P04150 1/20 0.33
AR P10275 1/20 0.33
ESR2 Q92731 1/20 0.33
KIF11 P52732 2/20 0.33

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
SCHEMBL3736145 0.97 CA1 (0.42) CA1CA2CA5ACA9SLC6A4
SCHEMBL6058655 0.95 CA1 (0.41) CA1CA2CA5ACA9SLC6A4
SCHEMBL3669658 0.93 CA1 (0.45) CA1CA2CA5ACA9SLC6A4
SCHEMBL5237734 0.86 CA1 (0.53) CA1CA2CA5ACA9KIF11
SCHEMBL3672708 0.82 MAPT (0.48) CA1CA2CA5ACA9SLC6A4
SCHEMBL3677530 0.80 AR (0.41) CYP1A2CYP2C19CYP3A4CYP2D6PGR
SCHEMBL3671780 0.80 MAPK14 (0.34) CYP2C9PGRMAPK14TLR8NR3C1
SCHEMBL19056957 0.80 CA1 (0.52) CA1CA2CA5ACA9KIF11
SCHEMBL3733636 0.79 CA1 (0.45) CA1CA2CA5ACA9CYP1A2
SCHEMBL3674087 0.78 MAPT (0.48) CA1CA2CA5ACA9SLC6A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329444-B1 Halogenated aromatic compound, (co)polymer thereof, and proton-conductive membrane comprising same JSR CORP (JP) 2010-05-05 EP disclosed
EP-1138712-B1 Polyarylene copolymers and proton-conductive membrane JSR CORP (JP) 2006-01-18 EP disclosed
US-6833426-B2 A proton-conductive membrane containing the sulfonic acid group-containing polyarylene (co)polymer JSR CORPORATION (JP) 2004-12-21 US disclosed
US-6812290-B2 FOR USE AS ELECTROLYTES JSR CORPORATION (JP) 2004-11-02 US disclosed
US-20030195301-A1 Polyarylene copolymers and proton-conductive membrane JSR CORPORATION (JP) 2003-10-16 US disclosed
US-20030173547-A1 Halogenated aromatic compound, (co)polymer thereof, and proton-conductive membrane comprising same JSR CORPORATION (JP) 2003-09-18 US disclosed
EP-1329444-A1 Halogenated aromatic compound, (co)polymer thereof, and proton-conductive membrane comprising same JSR Corporation (JP) 2003-07-23 EP disclosed
US-6555626-B2 Controlled amount of sulfonic acid groups; copolymer of an aromatic compound having a main chain containing electron withdrawing groups and aromatic compounds with no electron withdrawing groups; durability, strength, conductivity JSR CORPORATION (JP) 2003-04-29 US disclosed
US-20010037000-A1 Polyarylene copolymers and proton-conductive membrane JSR CORPORATION (JP) 2001-11-01 US disclosed
EP-1138712-A2 Polyarylene copolymers and proton-conductive membrane JSR Corporation (JP) 2001-10-04 EP disclosed