SCHEMBL13610406

SCHEMBL13610406

Cc1cccc(C(F)(F)CF)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
KIF11 P52732 5/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KCNH2 Q12809 1/20 0.42
PTPN5 P54829 1/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36

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
SCHEMBL22671430 0.83 ACHE (0.44) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL12318017 0.83 ACHE (0.48) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL2008713 0.82 PTPN5 (0.44) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL29112294 0.82 KIF11 (0.49) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL25078650 0.80 KIF11 (0.44) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL16926145 0.80 ACHE (0.41) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL24847443 0.79 ACHE (0.49) ACHEKIF11CYP2D6HTTLMNA
SCHEMBL24343529 0.79 ACHE (0.39) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL148048 0.78 NFE2L2 (0.55) ACHEKIF11PTPN5HTTMEN1
SCHEMBL822098 0.78 ACHE (0.52) ACHEKIF11CYP3A4CYP2D6CYP2C9

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
US-7615300-B2 Development of novel proton-conductive polymers for proton exchange membrane fuel cell (PEMFC) technology The Board of Regents University and Community College System of Nevada on Behalf of the University of Nevada (US) 2009-11-10 US disclosed
US-20070048579-A1 Development of novel proton-conductive polymers for proton exchange membrane fuel cell (PEMFC) technology Board of Regents University and Community College System of Nevada 2007-03-01 US disclosed