SCHEMBL3794464

SCHEMBL3794464

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

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGES O14684 16/20 0.66
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MAPK14 Q16539 2/20 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
SCHEMBL3801441 0.88 PTGES (0.75) PTGES
SCHEMBL3791390 0.86 PTGES (0.72) PTGES
SCHEMBL13075498 0.86 PTGES (0.69) PTGESMAPK14
SCHEMBL3793316 0.80 PTGES (0.76) PTGESMAPK14
SCHEMBL13076377 0.80 PTGES (0.79) PTGESMAPK14
SCHEMBL3795330 0.80 PTGES (1.00) PTGES
SCHEMBL3795549 0.79 PTGES (0.47) PTGESTP53MAPT
SCHEMBL3795999 0.77 PTGES (0.66) PTGESMAPK14
SCHEMBL3717114 0.76 PTGES (0.64) PTGESMAPK14
SCHEMBL3796724 0.76 PTGES (0.45) PTGESTP53MAPT

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