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Sugi Predict / Compounds / SCHEMBL19953091

SCHEMBL19953091

SCHEMBL19953091

Fc1ccc(F)c(-c2c(Cl)ncn2-c2ccc(Cl)cc2)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.51
▸ PTGS1 P23219 3/20 0.47

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
SCHEMBL19953199 0.91 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL1074104 0.88 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL19953173 0.88 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL19953164 0.85 CYP11B2 (0.47) PTGS2PTGS1
SCHEMBL1076492 0.85 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL19953042 0.85 PTGS2 (0.43) PTGS2
SCHEMBL19967294 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL1073380 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL19953044 0.79 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL19953052 0.77 PTGS2 (0.41) PTGS2PTGS1

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-2018048969-A1 MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-03-15 — — WO disclosed