SCHEMBL3795491

SCHEMBL3795491

O=C(O)c1ccc(-c2c[nH]c(-c3c(F)cccc3Cl)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.43
EIF4E P06730 1/20 0.41
KMO O15229 5/20 0.40
GCGR P47871 1/20 0.40
TTR P02766 1/20 0.40
DHODH Q02127 1/20 0.38
P4HTM Q9NXG6 3/20 0.37
JAK2 O60674 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
SCHEMBL13075541 0.88 KDM4E (0.43) PTGESKMOGCGRP4HTM
SCHEMBL13075516 0.86 NPC1 (0.46) PTGESGCGRP4HTM
SCHEMBL4783219 0.86 TTR (0.55) PTGESEIF4ETTRDHODHJAK2
SCHEMBL13076264 0.85 GCGR (0.42) GCGRP4HTM
SCHEMBL3799056 0.84 PTGES (0.40) PTGESEIF4EGCGRJAK2
SCHEMBL13075530 0.84 SMN1; SMN2 (0.43) PTGESGCGR
SCHEMBL4786153 0.84 EIF4E (0.50) PTGESEIF4EKMOTTRDHODH
SCHEMBL13075525 0.83 MAPK7 (0.43) PTGESGCGRP4HTM
SCHEMBL3796320 0.83 PTGES (0.49) PTGESJAK2
SCHEMBL13076224 0.83 GCGR (0.43) PTGESGCGR

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