SCHEMBL13076280

SCHEMBL13076280

Fc1cccc(Cl)c1-c1nc(-c2ccc(-c3cccc(OC(F)(F)F)c3)nc2)c(Br)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 12/20 0.56
PTGS1 P23219 2/20 0.56
XDH P47989 1/20 0.39
MAPK14 Q16539 1/20 0.38
ATR Q13535 1/20 0.38
NPY5R Q15761 1/20 0.38
DHODH Q02127 1/20 0.37
TRPV3 Q8NET8 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
P2RX7 Q99572 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
SCHEMBL13076252 0.92 PTGES (0.57) PTGESPTGS1MAPK14
SCHEMBL3798464 0.87 PTGES (0.50) PTGESPTGS1XDHMAPK14ATR
SCHEMBL13075522 0.86 PTGES (0.65) PTGESPTGS1MAPK14
SCHEMBL13075515 0.81 PTGES (0.64) PTGESPTGS1MAPK14
SCHEMBL3791947 0.80 PTGES (0.61) PTGESPTGS1MAPK14
SCHEMBL13076254 0.80 PTGES (0.54) PTGESPTGS1MAPK14TRPV3
SCHEMBL13076241 0.79 PTGES (0.55) PTGESPTGS1MAPK14
SCHEMBL3799807 0.79 PTGES (0.43) PTGESPTGS1MAPK14
SCHEMBL13075554 0.78 PTGES (0.64) PTGESMAPK14
SCHEMBL13076234 0.76 PTGES (0.61) PTGESPTGS1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 WO disclosed