SCHEMBL16275018

SCHEMBL16275018

O=C(O)COc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ PTGDR2 Q9Y5Y4 5/20 0.44
▸ MAP4K4 O95819 1/20 0.43
▸ AKR1B1 P15121 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MKNK1 Q9BUB5 2/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38

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
SCHEMBL5183183 0.91 MAPT (0.44) MAPTPTGDR2ALDH1A1MKNK1MKNK2
SCHEMBL5442869 0.89 SMN1; SMN2 (0.43) MAPTPTGDR2ALDH1A1MKNK1MKNK2
SCHEMBL5183820 0.89 PTGS2 (0.44) MAPTPTGDR2ALDH1A1MKNK1MKNK2
SCHEMBL8264094 0.86 MAPT (0.47) MAPTPTGDR2ALDH1A1MKNK1MKNK2
SCHEMBL5433959 0.85 KLKB1 (0.42) MAPTPTGDR2ALDH1A1MKNK1MKNK2
SCHEMBL5439520 0.85 MAPT (0.46) MAPTPTGDR2MKNK1MKNK2
SCHEMBL5194991 0.85 MAPT (0.46) MAPTPTGDR2MKNK1MKNK2HTR2A
SCHEMBL5439478 0.84 MAPT (0.45) MAPTPTGDR2MKNK1MKNK2HTR2A
SCHEMBL5442652 0.83 MAPT (0.43) MAPTPTGDR2ALDH1A1MKNK1MKNK2
SCHEMBL5197304 0.83 MAPT (0.49) MAPTPTGDR2ALDH1A1MKNK1MKNK2

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
EP-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 — — EP claimed
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