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SCHEMBL3792008

SCHEMBL3792008

O=C(O)c1ccc(-c2cnc(-c3c(F)cccc3Cl)[nH]2)cn1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 8/20 0.62
▸ JAK2 O60674 2/20 0.48
▸ GCGR P47871 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ SCN2A Q99250 2/20 0.39
▸ HPGDS O60760 3/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ NQO2 P16083 1/20 0.37
▸ P4HTM Q9NXG6 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
SCHEMBL3800707 0.88 PTGES (0.60) PTGESJAK2GCGRP4HTM
SCHEMBL3802423 0.86 PTGES (0.57) PTGESJAK2GCGRP4HTM
SCHEMBL3796557 0.85 PTGES (0.53) PTGESJAK2GCGRP4HTM
SCHEMBL3790890 0.84 PTGES (0.53) PTGESJAK2GCGR
SCHEMBL3795105 0.83 PTGES (0.52) PTGESJAK2GCGRP4HTM
SCHEMBL3797105 0.83 PTGES (0.55) PTGESJAK2GCGRSCN2AHPGDS
SCHEMBL3796421 0.83 PTGES (0.54) PTGESJAK2GCGR
SCHEMBL3797910 0.82 PTGES (0.50) PTGESJAK2GCGRSCN2A
SCHEMBL3794463 0.82 PTGES (0.67) PTGESJAK2SCN2AHPGDS
SCHEMBL3795491 0.81 PTGES (0.43) PTGESJAK2GCGRTTRDHODH

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