SCHEMBL3795330

SCHEMBL3795330

Fc1cccc(Cl)c1-c1nc(-c2ccc(C#Cc3ccccc3)nc2)c(Br)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 1.00
JAK2 O60674 1/20 0.39

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
SCHEMBL13076377 0.88 PTGES (0.79) PTGESJAK2
SCHEMBL3790511 0.88 PTGES (0.78) PTGES
SCHEMBL3793316 0.86 PTGES (0.76) PTGESJAK2
SCHEMBL3801441 0.85 PTGES (0.75) PTGESJAK2
SCHEMBL3791390 0.84 PTGES (0.72) PTGES
SCHEMBL13075498 0.82 PTGES (0.69) PTGES
SCHEMBL3796674 0.81 PTGES (0.67) PTGESJAK2
SCHEMBL3793910 0.80 PTGES (0.67) PTGESJAK2
SCHEMBL3801179 0.80 PTGES (0.66) PTGESJAK2
SCHEMBL3794464 0.80 PTGES (0.66) PTGES

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