SCHEMBL13075498

SCHEMBL13075498

CNC(=O)c1[nH]c(-c2c(F)cccc2Cl)nc1-c1ccc(C#Cc2ccccc2)nc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGES O14684 16/20 0.69
GRM5 P41594 2/20 0.46
MAPK14 Q16539 1/20 0.37

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
SCHEMBL3801441 0.90 PTGES (0.75) PTGESGRM5
SCHEMBL3791390 0.89 PTGES (0.72) PTGESGRM5
SCHEMBL3797820 0.86 PTGES (0.61) PTGESGRM5MAPK14
SCHEMBL3794464 0.86 PTGES (0.66) PTGESMAPK14
SCHEMBL13076377 0.82 PTGES (0.79) PTGESMAPK14
SCHEMBL3795330 0.82 PTGES (1.00) PTGES
SCHEMBL3793316 0.80 PTGES (0.76) PTGESMAPK14
SCHEMBL3795999 0.79 PTGES (0.66) PTGESGRM5MAPK14
SCHEMBL3717114 0.78 PTGES (0.64) PTGESGRM5MAPK14
SCHEMBL3796674 0.77 PTGES (0.67) PTGESGRM5

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